SCHEMBL31504375

SCHEMBL31504375

Cc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC2CC(F)(F)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 7/20 0.43
▸ MAPK14 Q16539 5/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL21617160 1.00 SMO (0.43) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL31504320 0.91 SMO (0.46) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL21617198 0.91 SMO (0.46) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL21617302 0.90 SMO (0.44) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL31504323 0.90 MAPK14 (0.44) SMOMAPK14BRD4GPR132
SCHEMBL21617187 0.90 MAPK14 (0.44) SMOMAPK14BRD4GPR132
SCHEMBL31504412 0.90 SMO (0.44) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL21617243 0.89 LDLR (0.45) SMOMAPK14BRD4GPR132KMT2A
SCHEMBL31504431 0.89 LDLR (0.45) SMOMAPK14BRD4GPR132KMT2A
SCHEMBL21617162 0.85 SMO (0.46) SMOMAPK14BRD4GPR132KCNH2

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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