SCHEMBL31661825

SCHEMBL31661825

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(N2CC3CCC(C2)N3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
TP53 P04637 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPT P10636 7/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H4 Q96RI1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PLAT P00750 2/20 0.35
LMNA P02545 1/20 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
SCHEMBL31661688 1.00 SMN1; SMN2 (0.39) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661554 0.89 SMN1; SMN2 (0.40) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661611 0.89 NPC1 (0.41) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661564 0.86 MEN1 (0.44) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661583 0.85 S1PR1 (0.47) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661757 0.84 HTR3A (0.40) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661707 0.83 HDAC4 (0.37) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661584 0.82 NR1H4 (0.37) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661780 0.81 NPC1 (0.52) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661774 0.76 TP53 (0.51) SMN1; SMN2TP53NFKB1NFKB2RELA

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 1 patent. 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 disclosed