SCHEMBL31661798

SCHEMBL31661798

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cnc(Cl)nc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
USP1 O94782 10/20 0.40
DGAT1 O75907 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 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
SCHEMBL31661659 0.88 LMNA (0.55) CASP3LMNATHRBS1PR1S1PR3
SCHEMBL31661753 0.84 S1PR1 (0.42) CASP3LMNATHRBS1PR1S1PR3
SCHEMBL31661762 0.83 NR1H4 (0.50) CASP3LMNATHRBS1PR1S1PR3
SCHEMBL31661744 0.83 NR1H4 (0.50) CASP3LMNATHRBS1PR1S1PR3
SCHEMBL25234699 0.81 USP1 (0.40) USP1DGAT1
SCHEMBL31661803 0.81 USP1 (0.58) USP1
SCHEMBL31661764 0.78 RAB9A (0.43) CASP3LMNATHRBS1PR1S1PR3
SCHEMBL31661698 0.77 USP1 (0.38) CASP3LMNATHRBS1PR1ALDH1A1
SCHEMBL31661802 0.76 NPC1 (0.43) LMNATHRBS1PR1S1PR3ALDH1A1
SCHEMBL31661587 0.76 SMN1; SMN2 (0.56) LMNATHRBS1PR1S1PR3ALDH1A1

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