SCHEMBL31661668

SCHEMBL31661668

COc1ccc(Cl)cc1-c1cc(F)ccc1-c1nc(-c2ccc(-c3nc(C(F)(F)F)cn3C)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
S1PR1 P21453 7/20 0.46
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP1 O94782 3/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
GRM7 Q14831 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 3/20 0.41
STAT3 P40763 1/20 0.41
TP53 P04637 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
SCHEMBL31661692 0.90 RAB9A (0.39) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661606 0.90 RAB9A (0.44) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661749 0.89 RAB9A (0.38) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661565 0.88 THRB (0.47) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661543 0.87 S1PR1 (0.45) SMN1; SMN2MEN1KMT2AS1PR1HSD17B10
SCHEMBL31661774 0.86 TP53 (0.51) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661618 0.85 HSD11B1 (0.47) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661698 0.85 USP1 (0.38) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661582 0.84 USP1 (0.46) SMN1; SMN2HPGDMEN1KMT2AS1PR1
SCHEMBL31661788 0.83 USP1 (0.42) SMN1; SMN2HPGDMEN1KMT2AS1PR1

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