SCHEMBL4713161

SCHEMBL4713161

Cc1cccc(/C=C/c2cc(Cl)ccc2O)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 3/20 0.67
HSP90AA1 P07900 2/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
GAA P10253 1/20 0.67
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 2/20 0.47
GRM5 P41594 1/20 0.47
GRM4 Q14833 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL4713163 1.00 MEN1 (0.67) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL27514516 0.83 KMT2A (0.61) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4713317 0.82 KMT2A (0.52) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4713319 0.82 KMT2A (0.52) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4711546 0.80 MEN1 (0.59) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4711545 0.80 MEN1 (0.59) MEN1KMT2AMAPTHSP90AA1LMNA
Hydrochloric Acid SCHEMBL16915436 0.78 MEN1 (0.57) MEN1KMT2AMAPTHSP90AA1LMNA
Hydrochloric Acid SCHEMBL16915438 0.78 MEN1 (0.57) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4714501 0.78 MEN1 (0.68) MEN1KMT2AMAPTHSP90AA1LMNA
SCHEMBL4714503 0.78 MEN1 (0.68) MEN1KMT2AMAPTHSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN disclosed