SCHEMBL31661630

SCHEMBL31661630

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3nccc4ccccc34)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
S1PR1 P21453 6/20 0.43
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ATM Q13315 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
USP1 O94782 6/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 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
SCHEMBL31661587 0.84 SMN1; SMN2 (0.56) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661659 0.81 LMNA (0.55) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661672 0.81 CHUK (0.44) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661753 0.77 S1PR1 (0.42) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661762 0.77 NR1H4 (0.50) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661744 0.77 NR1H4 (0.50) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661798 0.75 CASP3 (0.44) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL31661670 0.75 USP1 (0.54) USP1
SCHEMBL31661677 0.73 USP1 (0.52) S1PR1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL31661828 0.71 USP1 (0.41) PTGS2USP1

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