SCHEMBL9874259

SCHEMBL9874259

COc1cccc2c1C(=O)CC(c1ccc(C)cc1)=N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PARP1 P09874 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALOX5 P09917 1/20 0.37
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
POLL Q9UGP5 1/20 0.35
HTT P42858 4/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL9873447 0.81 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9872061 0.77 RAB9A (0.45) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9177054 0.73 TOP1 (0.41) MAPTALDH1A1KDM4EPOLLHTT
SCHEMBL15775204 0.73 CYP19A1 (0.41) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL339611 0.73 TP53 (0.42) MAPTALDH1A1RAB9ANPC1RXFP1
SCHEMBL9875005 0.72 MAPT (0.42) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1045908 0.70 TNKS (0.46) MAPTALDH1A1RAB9AKDM4ETNKS
SCHEMBL29640597 0.68 MAPT (0.70) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28574077 0.68 MAPT (0.70) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9872637 0.68 MAPT (0.40) MAPTALDH1A1RXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed