SCHEMBL31661671

SCHEMBL31661671

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3cc(Br)ccc3N3CCOCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.47
USP1 O94782 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
SYK P43405 1/20 0.36

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 0.92 USP1 (0.41) S1PR1USP1SMN1; SMN2POLB
SCHEMBL31661695 0.92 S1PR1 (0.46) S1PR1USP1SMN1; SMN2POLB
SCHEMBL31661739 0.86 NPC1 (0.36) S1PR1SMN1; SMN2KDM4E
SCHEMBL31661724 0.85 USP1 (0.41) S1PR1USP1SMN1; SMN2KDM4EPOLB
SCHEMBL31661494 0.84 USP1 (0.42) S1PR1USP1NPSR1SMN1; SMN2
SCHEMBL31661802 0.83 NPC1 (0.43) S1PR1NPSR1SMN1; SMN2KDM4E
SCHEMBL31661583 0.82 S1PR1 (0.47) S1PR1USP1NPSR1SMN1; SMN2KDM4E
SCHEMBL31661744 0.80 NR1H4 (0.50) S1PR1NPSR1SMN1; SMN2KDM4E
SCHEMBL31661762 0.80 NR1H4 (0.50) S1PR1NPSR1SMN1; SMN2KDM4E
SCHEMBL31661659 0.78 LMNA (0.55) S1PR1NPSR1SMN1; SMN2KDM4E

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