SCHEMBL31649865

SCHEMBL31649865

COc1ccc2c(c1)-c1onc(C(N)=O)c1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.58
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
ALDH1A1 P00352 9/20 0.58
HPGD P15428 4/20 0.58
MAPT P10636 12/20 0.57
TP53 P04637 5/20 0.57
MAPK1 P28482 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RECQL P46063 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 6/20 0.56
KDM4E B2RXH2 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL31650070 0.85 TP53 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31650451 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31650137 0.81 RAB9A (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31649581 0.81 CYP1A2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31650361 0.80 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL5332224 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31650324 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL11903011 0.79 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL5340173 0.79 RAB9A (0.69) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL31649830 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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
WO-2025136811-A1 CHEMICAL COMPOUNDS AND USES THEREOF IDEAYA BIOSCIENCES, INC. (US) 2025-06-26 WO disclosed