SCHEMBL31661760

SCHEMBL31661760

Cn1cc(C(F)(F)F)nc1-c1ccc(C(=N)NOC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 10/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 1/20 0.38
CNR2 P34972 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.36
NR2E1 Q9Y466 1/20 0.35

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
SCHEMBL31661812 0.88 ADRB2 (0.45) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661807 0.81 ADRB2 (0.41) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661730 0.81 ADRB2 (0.41) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661796 0.81 ADRB2 (0.43) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661786 0.79 ADRB2 (0.35) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661763 0.78 PTGS2 (0.39) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL22122022 0.76 ADORA2A (0.46) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661804 0.76 ADRB2 (0.42) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL31661785 0.73 ALDH1A1 (0.44) USP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL25255920 0.72 USP1 (0.45) USP1ALDH1A1KDM4ECYP3A4HSD17B10

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