SCHEMBL31661672

SCHEMBL31661672

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc4ccccc4c3O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.44
TXNRD1 Q16881 2/20 0.44
NOX4 Q9NPH5 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39

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
SCHEMBL31661587 0.88 SMN1; SMN2 (0.56) CHUKTXNRD1NOX4SMN1; SMN2ALDH1A1
SCHEMBL31661630 0.81 PTGS2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL31661659 0.80 LMNA (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL31661641 0.78 S1PR1 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL31661762 0.76 NR1H4 (0.50) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL31661744 0.76 NR1H4 (0.50) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL31661780 0.76 NPC1 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL31661764 0.76 RAB9A (0.43) SMN1; SMN2KDM4EMAPK1L3MBTL1TP53
SCHEMBL31661677 0.75 USP1 (0.52) CHUKTXNRD1NOX4SMN1; SMN2MAPK1
SCHEMBL31661691 0.75 S1PR1 (0.38) CHUKTXNRD1NOX4SMN1; SMN2KDM4E

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