SCHEMBL31661657

SCHEMBL31661657

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cccc(F)c3C#N)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 1/20 0.36
S1PR1 P21453 7/20 0.35
USP1 O94782 2/20 0.35

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
SCHEMBL31661590 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661524 0.85 CA12 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661561 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661641 0.83 S1PR1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661582 0.82 USP1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661691 0.82 S1PR1 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661610 0.82 USP1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661749 0.81 RAB9A (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661692 0.81 RAB9A (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661537 0.81 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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