SCHEMBL31661680

SCHEMBL31661680

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3ccc(Cl)c(F)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
USP1 O94782 2/20 0.36
CASP3 P42574 1/20 0.36
S1PR1 P21453 6/20 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
SCHEMBL31661573 0.95 PTGS1 (0.41) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661647 0.91 NPC1 (0.44) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661698 0.89 USP1 (0.38) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661606 0.88 RAB9A (0.44) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661691 0.88 S1PR1 (0.38) NPC1RAB9AL3MBTL1TP53MEN1
SCHEMBL31661543 0.87 S1PR1 (0.45) NPC1RAB9ATP53NPSR1MEN1
SCHEMBL31661692 0.87 RAB9A (0.39) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661749 0.87 RAB9A (0.38) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661537 0.87 NPC1 (0.41) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL31661641 0.87 S1PR1 (0.46) NPC1RAB9AL3MBTL1TP53HPGD

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