SCHEMBL8550013

SCHEMBL8550013

COCc1c(Cl)cnn(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
BPTF Q12830 4/20 0.43
KAT2B Q92831 6/20 0.41
BRD9 Q9H8M2 4/20 0.41
GAA P10253 2/20 0.36
BRD4 O60885 5/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.36
NPBWR1 P48145 1/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL31735616 0.80 BPTF (0.46) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL8542130 0.79 MAPK1 (0.39) ALDH1A1HPGDGAAMAPTNPBWR1
SCHEMBL8544138 0.79 BPTF (0.45) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL8549481 0.79 BPTF (0.45) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL9597680 0.74 P2RX7 (0.38) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL14844549 0.74 ALDH1A1 (0.56) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL15569608 0.73 ALDH1A1 (0.49) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL4163687 0.72 KAT2B (0.47) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL979278 0.71 KAT2B (0.60) ALDH1A1HPGDBPTFKAT2BBRD9
SCHEMBL2642056 0.70 KAT2B (0.53) ALDH1A1HPGDBPTFKAT2BBRD9

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-0717734-B1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 1998-11-18 EP disclosed
US-5763439-A POTENTIATION ISHIHARA SANGYO KAISHA LTD. (JP) 1998-06-09 US disclosed
EP-0717734-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-06-26 EP disclosed
WO-1995007264-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-16 WO disclosed