SCHEMBL31661805

SCHEMBL31661805

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cccc(OC(F)(F)F)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.45
GRM5 P41594 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PLAT P00750 1/20 0.38
MAPT P10636 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA4 P22748 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL31661641 0.88 S1PR1 (0.46) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661691 0.85 S1PR1 (0.38) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661537 0.84 NPC1 (0.41) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661565 0.84 THRB (0.47) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661590 0.84 NPC1 (0.44) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661573 0.84 PTGS1 (0.41) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661770 0.83 S1PR1 (0.43) S1PR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31661629 0.83 TP53 (0.41) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661680 0.83 NPC1 (0.38) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31661698 0.83 USP1 (0.38) S1PR1NPC1RAB9ATP53SMN1; SMN2

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