SCHEMBL31662580

SCHEMBL31662580

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(O)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.46
SCN9A Q15858 9/20 0.43
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
HPGDS O60760 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
AR P10275 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CHEK2 O96017 1/20 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
SCHEMBL31662294 0.89 HAO1 (0.39) SCN9AKMT2A
SCHEMBL31662519 0.87 CA12 (0.41) SCN9AALDH1A1KMT2A
SCHEMBL31662377 0.84 SCN9A (0.43) PARP10SCN9AF2PRSS1PRSS2
SCHEMBL31662288 0.84 AR (0.40) SCN9AAR
SCHEMBL31662417 0.83 SCN9A (0.41) PARP10SCN9AHPGDS
SCHEMBL31662144 0.82 PARP15 (0.51) PARP10SCN9APARP15CHEK2
SCHEMBL31662222 0.82 TBXAS1 (0.43) SCN9AHPGDSKMT2A
SCHEMBL31661931 0.79 SCN9A (0.38) PARP10SCN9ACCNCCDK8CHEK2
SCHEMBL31662290 0.76 USP2 (0.39) SCN9AALDH1A1KMT2A
SCHEMBL31662483 0.76 SYK (0.41) PARP10SCN9AAR

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed