SCHEMBL31661647

SCHEMBL31661647

Cc1ccc(-c2cc(F)ccc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
S1PR1 P21453 7/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
USP1 O94782 2/20 0.36
CASP3 P42574 1/20 0.36
THRB P10828 1/20 0.35
PLAT P00750 1/20 0.34

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 0.94 PTGS1 (0.41) NPC1RAB9APTGS1PTGS2S1PR1
SCHEMBL31661680 0.91 NPC1 (0.38) NPC1RAB9APTGS1PTGS2S1PR1
SCHEMBL31661698 0.89 USP1 (0.38) NPC1RAB9APTGS2S1PR1TP53
SCHEMBL31661691 0.88 S1PR1 (0.38) NPC1RAB9APTGS1PTGS2S1PR1
SCHEMBL31661537 0.87 NPC1 (0.41) NPC1RAB9AS1PR1TP53TSHR
SCHEMBL31661641 0.87 S1PR1 (0.46) NPC1RAB9AS1PR1TP53TSHR
SCHEMBL31661606 0.86 RAB9A (0.44) NPC1RAB9AS1PR1TP53TSHR
SCHEMBL31661561 0.86 NPC1 (0.40) NPC1RAB9AS1PR1TP53TSHR
SCHEMBL31661770 0.86 S1PR1 (0.43) NPC1RAB9AS1PR1HPGDMAPK1
SCHEMBL31661692 0.85 RAB9A (0.39) NPC1RAB9AS1PR1TP53TSHR

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