SCHEMBL31661561

SCHEMBL31661561

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cccc(Cl)c3F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TP53 P04637 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP1 O94782 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD11B1 P28845 1/20 0.37
S1PR1 P21453 4/20 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
SCHEMBL31661590 0.91 NPC1 (0.44) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661606 0.87 RAB9A (0.44) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661573 0.87 PTGS1 (0.41) NPC1RAB9AL3MBTL1TP53TSHR
SCHEMBL31661680 0.86 NPC1 (0.38) NPC1RAB9AL3MBTL1TP53TSHR
SCHEMBL31661647 0.86 NPC1 (0.44) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661692 0.86 RAB9A (0.39) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661749 0.86 RAB9A (0.38) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661698 0.86 USP1 (0.38) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661641 0.86 S1PR1 (0.46) NPC1MAPTRAB9AL3MBTL1TP53
SCHEMBL31661691 0.85 S1PR1 (0.38) NPC1RAB9AL3MBTL1TP53USP1

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