SCHEMBL31661582

SCHEMBL31661582

COc1cccc(F)c1-c1cc(F)ccc1-c1nc(-c2ccc(-c3nc(C(F)(F)F)cn3C)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 4/20 0.46
S1PR1 P21453 7/20 0.43
CA4 P22748 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
WDR48 Q8TAF3 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL31661646 0.93 S1PR1 (0.49) USP1S1PR1CA4SMN1; SMN2TP53
SCHEMBL31661543 0.88 S1PR1 (0.45) USP1S1PR1CA4SMN1; SMN2TP53
SCHEMBL31661565 0.87 THRB (0.47) USP1S1PR1CA4SMN1; SMN2TP53
SCHEMBL31661590 0.87 NPC1 (0.44) USP1S1PR1SMN1; SMN2TP53NPC1
SCHEMBL31661774 0.85 TP53 (0.51) USP1S1PR1CA4SMN1; SMN2TP53
SCHEMBL31661691 0.84 S1PR1 (0.38) USP1S1PR1CA4SMN1; SMN2TP53
SCHEMBL31661668 0.84 SMN1; SMN2 (0.49) USP1S1PR1SMN1; SMN2TP53NPC1
SCHEMBL31661698 0.84 USP1 (0.38) USP1S1PR1SMN1; SMN2TP53NPC1
SCHEMBL31661641 0.84 S1PR1 (0.46) S1PR1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL31661537 0.84 NPC1 (0.41) USP1S1PR1SMN1; SMN2TP53NPC1

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