SCHEMBL31661753

SCHEMBL31661753

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccnc(Cl)n3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
USP1 O94782 7/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CASP3 P42574 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 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
SCHEMBL31661798 0.84 CASP3 (0.44) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661659 0.83 LMNA (0.55) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661670 0.81 USP1 (0.54) USP1
SCHEMBL31661744 0.78 NR1H4 (0.50) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661762 0.78 NR1H4 (0.50) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661630 0.77 PTGS2 (0.46) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661764 0.74 RAB9A (0.43) S1PR1S1PR3KDM4ENPC1HSP90AA1
SCHEMBL31661587 0.73 SMN1; SMN2 (0.56) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL31661828 0.73 USP1 (0.41) USP1
SCHEMBL31254939 0.73 USP1 (0.47) USP1

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