SCHEMBL31661554

SCHEMBL31661554

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(N2CC3CN(C)CC3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
TP53 P04637 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MAPT P10636 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 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
SCHEMBL31661584 0.93 NR1H4 (0.37) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661611 0.90 NPC1 (0.41) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661564 0.89 MEN1 (0.44) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661688 0.89 SMN1; SMN2 (0.39) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661825 0.89 SMN1; SMN2 (0.39) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661583 0.86 S1PR1 (0.47) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661757 0.84 HTR3A (0.40) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661707 0.83 HDAC4 (0.37) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661780 0.82 NPC1 (0.52) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661794 0.80 S1PR1 (0.41) SMN1; SMN2TP53NFKB1MAPTRAB9A

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