SCHEMBL31661629

SCHEMBL31661629

CCOc1ccc(-c2cc(F)ccc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.41
CXCR1 P25024 1/20 0.40
S1PR1 P21453 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 1/20 0.38
S1PR5 Q9H228 1/20 0.38
USP1 O94782 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL31661641 0.87 S1PR1 (0.46) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL31661691 0.86 S1PR1 (0.38) TP53NPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL31661524 0.85 CA12 (0.39) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31661537 0.85 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL31661770 0.84 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL31661698 0.83 USP1 (0.38) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL31661805 0.83 S1PR1 (0.45) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL31661774 0.83 TP53 (0.51) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL31661565 0.83 THRB (0.47) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL31661573 0.83 PTGS1 (0.41) TP53NPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed