SCHEMBL31661584

SCHEMBL31661584

COc1ccc(-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3C)no2)c(N2CC3CN(C)CC3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
S1PR1 P21453 10/20 0.36
PLAT P00750 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MMP13 P45452 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL31661554 0.93 SMN1; SMN2 (0.40) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661794 0.87 S1PR1 (0.41) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661704 0.84 PLAT (0.39) NR1H4S1PR1PLATKDM4EALDH1A1
SCHEMBL31661551 0.83 NPC1 (0.44) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661611 0.83 NPC1 (0.41) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661564 0.82 MEN1 (0.44) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661688 0.82 SMN1; SMN2 (0.39) NR1H4S1PR1PLATTP53SMN1; SMN2
SCHEMBL31661825 0.82 SMN1; SMN2 (0.39) NR1H4S1PR1PLATTP53SMN1; SMN2
SCHEMBL31661583 0.79 S1PR1 (0.47) NR1H4S1PR1TP53SMN1; SMN2NFKB1
SCHEMBL31661780 0.75 NPC1 (0.52) NR1H4S1PR1TP53SMN1; SMN2NFKB1

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 claimed