SCHEMBL31661587

SCHEMBL31661587

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
MAPT P10636 6/20 0.56
MAPK1 P28482 5/20 0.56
NFKB1 P19838 5/20 0.56
NFKB2 Q00653 5/20 0.56
RELA Q04206 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TP53 P04637 4/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
LMNA P02545 2/20 0.53
CHUK O15111 1/20 0.45
TXNRD1 Q16881 1/20 0.45

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
SCHEMBL31661672 0.88 CHUK (0.44) SMN1; SMN2MAPTMAPK1NFKB1NFKB2
SCHEMBL31661630 0.84 PTGS2 (0.46) SMN1; SMN2MAPTMAPK1NFKB1NFKB2
SCHEMBL31661659 0.84 LMNA (0.55) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL31661653 0.80 USP1 (0.52) SMN1; SMN2MAPK1NFKB1NFKB2RELA
SCHEMBL31661677 0.80 USP1 (0.52) SMN1; SMN2MAPK1NFKB1NFKB2RELA
SCHEMBL31661762 0.79 NR1H4 (0.50) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL31661744 0.79 NR1H4 (0.50) SMN1; SMN2MAPTNFKB1NFKB2RELA
SCHEMBL31661641 0.79 S1PR1 (0.46) SMN1; SMN2MAPTMAPK1NFKB1NFKB2
SCHEMBL31661590 0.79 NPC1 (0.44) SMN1; SMN2MAPTMAPK1NFKB1NFKB2
SCHEMBL31661764 0.77 RAB9A (0.43) SMN1; SMN2MAPTMAPK1NFKB1NFKB2

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