SCHEMBL31661695

SCHEMBL31661695

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cc(Br)ccc3N3CCCCCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.46
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.39
USP1 O94782 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL31661726 0.93 USP1 (0.41) S1PR1POLBUSP1SMN1; SMN2
SCHEMBL31661671 0.92 S1PR1 (0.47) S1PR1POLBUSP1SMN1; SMN2
SCHEMBL31661739 0.87 NPC1 (0.36) S1PR1RXFP1L3MBTL1MAPTTP53
SCHEMBL31661724 0.86 USP1 (0.41) S1PR1POLBUSP1MAPTSMN1; SMN2
SCHEMBL31661802 0.84 NPC1 (0.43) S1PR1RXFP1L3MBTL1MAPTTP53
SCHEMBL31661762 0.81 NR1H4 (0.50) S1PR1RXFP1MAPTTP53NFKB1
SCHEMBL31661744 0.81 NR1H4 (0.50) S1PR1RXFP1MAPTTP53NFKB1
SCHEMBL31661790 0.79 NPC1 (0.43) S1PR1USP1L3MBTL1MAPTTP53
SCHEMBL31661659 0.79 LMNA (0.55) S1PR1MAPTTP53NFKB1NFKB2
SCHEMBL31661764 0.78 RAB9A (0.43) S1PR1L3MBTL1MAPTTP53NFKB1

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