SCHEMBL83653

SCHEMBL83653

CC(Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 2/20 0.52
LMNA P02545 2/20 0.47
CYP2A6 P11509 1/20 0.47
CYP19A1 P11511 7/20 0.46
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1538386 0.85 MEN1 (0.62) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL6552297 0.83 MEN1 (0.54) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL8322314 0.82 MEN1 (0.59) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL677101 0.82 MEN1 (0.59) MEN1KMT2ATSHRMAPK1HIF1A
1,4-Dichlorobenzene SCHEMBL8932745 0.81 LMNA (0.61) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL23116738 0.80 MEN1 (0.56) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL20997815 0.80 MEN1 (0.56) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL13379568 0.79 CYP19A1 (0.67) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL95552 0.79 MEN1 (0.62) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL2768675 0.79 MEN1 (0.62) MEN1KMT2ATSHRMAPK1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790179-B2 2011-10-12 JP claimed
EP-1207873-A4 METHODS OF INHIBITING OSTEOCLAST ACTIVITY UNIV PENNSYLVANIA (US) 2006-04-12 EP claimed
JP-2003505503-A 2003-02-12 JP claimed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP claimed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO claimed
US-8785419-B2 Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-07-22 US disclosed
US-8019557-B2 Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-09-13 US disclosed
US-8003628-B2 Methods of inhibiting osteoclast activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-08-23 US disclosed
EP-2196930-B1 Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same UNIV PENNSYLVANIA (US) 2011-03-23 EP disclosed
US-20100151507-A1 Cavity Induced Allosteric Modification Of Intermolecular Interactions And Methods Of Identifying Compounds That Effect The Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-17 US disclosed
EP-2196930-A1 Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-16 EP disclosed
EP-1091974-B1 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME UNIV PENNSYLVANIA (US) 2010-06-02 EP disclosed
EP-1207873-A4 METHODS OF INHIBITING OSTEOCLAST ACTIVITY UNIV PENNSYLVANIA (US) 2006-04-12 EP disclosed
EP-1091974-A4 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME UNIV PENNSYLVANIA (US) 2005-06-15 EP disclosed
US-6673771-B1 ADMINISTERING INHIBITOR OF TUMOR NECROSIS FACTOR RELATED ACTIVATOR INDUCED CYTOKINE/RECEPTOR ACTIVATOR OF NUCLEAR FACTOR KAPPA BETA LIGAND, PEPTIDE HAVING CYCLIC PORTION AND EXOCYCLIC PORTIONS COMPRISING TYROSINE OR PHENYLALANINE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-01-06 US disclosed
EP-1207873-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-05-29 EP disclosed
EP-1091974-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-04-18 EP disclosed
WO-2001008677-A1 METHODS OF INHIBITING OSTEOCLAST ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-02-08 WO disclosed
WO-2000001349-A2 CAVITY INDUCED ALLOSTERIC MODIFICATION OF INTERMOLECULAR INTERACTIONS AND METHODS OF IDENTIFYING COMPOUNDS THAT EFFECT THE SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-01-13 WO disclosed
EP-0214507-A2 Outdoor films stabilized against chemical attack AMERICAN CYANAMID COMPANY (US) 1987-03-18 EP disclosed