SCHEMBL31661618

SCHEMBL31661618

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MAPT P10636 8/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
S1PR1 P21453 2/20 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
SCHEMBL31661774 0.90 TP53 (0.51) HSD11B1SMN1; SMN2TP53NFKB1NFKB2
SCHEMBL31661668 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL31661780 0.85 NPC1 (0.52) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661606 0.85 RAB9A (0.44) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL31661561 0.85 NPC1 (0.40) HSD11B1SMN1; SMN2TP53NFKB1NFKB2
SCHEMBL31661573 0.85 PTGS1 (0.41) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661647 0.84 NPC1 (0.44) TP53MAPTNPC1RAB9ATHRB
SCHEMBL31661680 0.84 NPC1 (0.38) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661692 0.84 RAB9A (0.39) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL31661698 0.84 USP1 (0.38) 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 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