SCHEMBL31661774

SCHEMBL31661774

COc1ccc(-c2cc(F)ccc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
MAPT P10636 8/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
S1PR1 P21453 3/20 0.43
USP1 O94782 2/20 0.41
CA4 P22748 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL31661618 0.90 HSD11B1 (0.47) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661565 0.88 THRB (0.47) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661543 0.87 S1PR1 (0.45) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661668 0.86 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL31661780 0.86 NPC1 (0.52) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661582 0.85 USP1 (0.46) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661788 0.84 USP1 (0.42) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661691 0.83 S1PR1 (0.38) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661629 0.83 TP53 (0.41) TP53SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL31661641 0.82 S1PR1 (0.46) TP53SMN1; SMN2NFKB1NFKB2RELA

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