SCHEMBL31661590

SCHEMBL31661590

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cccc(F)c3F)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
S1PR1 P21453 5/20 0.38
USP1 O94782 3/20 0.38
CHUK O15111 1/20 0.38
TXNRD1 Q16881 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL31661561 0.91 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661657 0.89 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661641 0.87 S1PR1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661582 0.87 USP1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661691 0.86 S1PR1 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661610 0.86 USP1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661749 0.86 RAB9A (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661692 0.86 RAB9A (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661537 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31661770 0.85 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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