SCHEMBL31661691

SCHEMBL31661691

Cn1cc(C(F)(F)F)nc1-c1ccc(-c2noc(-c3ccc(F)cc3-c3cc(F)cc(F)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
USP1 O94782 3/20 0.36
CHUK O15111 1/20 0.35
TXNRD1 Q16881 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
PTGS2 P35354 2/20 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
SCHEMBL31661537 0.93 NPC1 (0.41) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661770 0.92 S1PR1 (0.43) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661698 0.91 USP1 (0.38) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661641 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661573 0.88 PTGS1 (0.41) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661680 0.88 NPC1 (0.38) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661647 0.88 NPC1 (0.44) S1PR1NPC1RAB9ATHRBMEN1
SCHEMBL31661524 0.88 CA12 (0.39) S1PR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31661565 0.87 THRB (0.47) S1PR1NPC1RAB9ASMN1; SMN2THRB
SCHEMBL31661764 0.87 RAB9A (0.43) S1PR1NPC1RAB9ASMN1; SMN2LMNA

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