SCHEMBL7432141

SCHEMBL7432141

COc1ccc(Oc2ncccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.45

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
SCHEMBL169682 0.87 KMT2A (0.55) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL9038839 0.86 RAB9A (0.59) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL3293477 0.85 ALDH1A1 (0.55) GAAALDH1A1MEN1KMT2ARAB9A
Methyl Alcohol SCHEMBL11374946 0.84 MEN1 (0.55) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL29719546 0.84 KMT2A (0.56) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL29530525 0.83 GRM5 (0.49) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL564719 0.83 GRM5 (0.49) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL20653314 0.82 ROCK2 (0.46) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL3287615 0.81 CYP19A1 (0.42) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL3164417 0.80 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359547-B1 Pyridine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-01-24 EP disclosed
EP-0558094-A1 Pyridine compounds for treating amnesia YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-01 EP disclosed
US-5001137-A Pyridine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-03-19 US disclosed
EP-0359547-A1 Pyridine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-03-21 EP disclosed