SCHEMBL31661537

SCHEMBL31661537

Cc1cc(C)cc(-c2cc(F)ccc2-c2nc(-c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 1/20 0.39
S1PR1 P21453 8/20 0.38
S1PR3 Q99500 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
USP1 O94782 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 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
SCHEMBL31661691 0.93 S1PR1 (0.38) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661770 0.91 S1PR1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31661698 0.90 USP1 (0.38) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661641 0.90 S1PR1 (0.46) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661573 0.87 PTGS1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661647 0.87 NPC1 (0.44) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL31661680 0.87 NPC1 (0.38) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661524 0.87 CA12 (0.39) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661565 0.86 THRB (0.47) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL31661764 0.86 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53MEN1

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