SCHEMBL31661635

SCHEMBL31661635

Cc1cc(-c2nc(C(F)(F)F)cn2C)ccc1-c1noc(-c2ccc(F)cc2Br)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.45
S1PR3 Q99500 1/20 0.39
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL31661764 0.91 RAB9A (0.43) S1PR1S1PR3NPC1TP53RAB9A
SCHEMBL31661578 0.84 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL31661735 0.81 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL31661750 0.81 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL31661551 0.81 NPC1 (0.44) S1PR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31661646 0.81 S1PR1 (0.49) S1PR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31661573 0.79 PTGS1 (0.41) S1PR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31661691 0.78 S1PR1 (0.38) S1PR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31661641 0.77 S1PR1 (0.46) S1PR1S1PR3NPC1TP53RAB9A
SCHEMBL31661659 0.75 LMNA (0.55) S1PR1S1PR3NPC1TP53RAB9A

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