SCHEMBL31661646

SCHEMBL31661646

COc1cccc(F)c1-c1cc(F)ccc1-c1nc(-c2ccc(-c3nc(C(F)(F)F)cn3C)cc2C)no1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.49
USP1 O94782 3/20 0.42
CA4 P22748 1/20 0.39
S1PR5 Q9H228 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31661582 0.93 USP1 (0.46) S1PR1USP1CA4MEN1NPC1
SCHEMBL31661551 0.81 NPC1 (0.44) S1PR1S1PR5MEN1NPC1ALDH1A1
SCHEMBL31661635 0.81 S1PR1 (0.45) S1PR1S1PR5NPC1TP53NFKB1
SCHEMBL31661543 0.80 S1PR1 (0.45) S1PR1USP1CA4MEN1NPC1
SCHEMBL31661578 0.80 S1PR1 (0.40) S1PR1USP1
SCHEMBL31661565 0.79 THRB (0.47) S1PR1USP1CA4MEN1NPC1
SCHEMBL31661590 0.79 NPC1 (0.44) S1PR1USP1MEN1NPC1TP53
SCHEMBL31661774 0.78 TP53 (0.51) S1PR1USP1CA4MEN1NPC1
SCHEMBL31661691 0.77 S1PR1 (0.38) S1PR1USP1CA4MEN1NPC1
SCHEMBL31661641 0.76 S1PR1 (0.46) S1PR1MEN1NPC1ALDH1A1TP53

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