SCHEMBL31661610

SCHEMBL31661610

CC(C)c1ccccc1-c1cc(F)ccc1-c1nc(-c2ccc(-c3nc(C(F)(F)F)cn3C)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP1 O94782 10/20 0.47
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 6/20 0.38
CHUK O15111 1/20 0.38
TXNRD1 Q16881 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL31661641 0.87 S1PR1 (0.46) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL31661552 0.86 USP1 (0.48) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661590 0.86 NPC1 (0.44) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661653 0.86 USP1 (0.52) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661677 0.86 USP1 (0.52) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661561 0.85 NPC1 (0.40) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661803 0.84 USP1 (0.58) USP1WDR48
SCHEMBL31661691 0.84 S1PR1 (0.38) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661537 0.83 NPC1 (0.41) USP1MEN1NPC1NFKB1RAB9A
SCHEMBL31661770 0.82 S1PR1 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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