SCHEMBL3637979

SCHEMBL3637979

COc1ccc(Cl)cc1C(Br)C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
ERN1 O75460 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
LPAR1 Q92633 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TTR P02766 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5758153 0.84 HTR2A (0.38) HPGDTSHRSMN1; SMN2
SCHEMBL2928368 0.81 HTT (0.58) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL28963070 0.81 HTT (0.58) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL3641536 0.81 HTT (0.40) ALDH1A1ERN1MEN1KMT2AHTT
SCHEMBL3411434 0.81 ACHE (0.47) ALDH1A1HPGDERN1MEN1KMT2A
SCHEMBL3417280 0.80 ERN1 (0.40) ALDH1A1HPGDERN1MEN1KMT2A
SCHEMBL6445833 0.80 EPAS1 (0.34)
Hydrochloric Acid SCHEMBL5761162 0.79 ALDH1A1 (0.40) ALDH1A1HPGDERN1TRPV4MEN1
SCHEMBL20445958 0.78 GAA (0.43) ALDH1A1HPGDERN1MEN1KMT2A
SCHEMBL6446720 0.77 CYP3A4 (0.39) ALDH1A1ERN1MEN1KMT2AHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174859-A1 FLT3 RECEPTOR ANTAGONISTS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2017-06-07 EP disclosed
WO-2016016370-A1 FLT3 RECEPTOR ANTAGONISTS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-02-04 WO disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
EP-1658273-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2005019184-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed