SCHEMBL9729063

SCHEMBL9729063

COc1ccc(C(=O)Nc2nc(=O)c3ccccc3n2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
TP53 P04637 3/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
F10 P00742 1/20 0.51
ADORA3 P0DMS8 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
CDKN1A P38936 1/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL9728470 0.87 RAB9A (0.68) MAPK1TP53NPC1RAB9AKMT2A
SCHEMBL9728272 0.86 RAB9A (0.56) MAPK1TP53NPC1RAB9AKMT2A
SCHEMBL9728142 0.78 MEN1 (0.56) NPC1RAB9AKMT2AMAPTADORA3
SCHEMBL9728332 0.76 MAPT (0.52) MAPK1NPC1RAB9AKMT2AMAPT
SCHEMBL16201550 0.76 PDE11A (0.79) MAPK1TP53IRAK4NPC1RAB9A
SCHEMBL20942205 0.73 NPC1 (0.60) MAPK1TP53NPC1RAB9AKMT2A
SCHEMBL9728959 0.73 RAB9A (0.72) TP53NPC1RAB9AKMT2AMAPT
SCHEMBL3604861 0.72 IRAK4 (0.80) TP53IRAK4NPC1RAB9AKMT2A
SCHEMBL21105717 0.71 IRAK4 (1.00) TP53IRAK4NPC1RAB9AKMT2A
SCHEMBL7224007 0.71 EGFR (0.50) TP53NPC1RAB9AKMT2AMAPT

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-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed