SCHEMBL31504367

SCHEMBL31504367

CCc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.42
▸ MAPK14 Q16539 3/20 0.40
▸ SMO Q99835 3/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ LDLR P01130 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ PABPC1 P11940 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
SCHEMBL21617192 1.00 BRD4 (0.42) BRD4MAPK14SMOGPR132LDLR
SCHEMBL31504384 0.99 BRD4 (0.41) BRD4MAPK14SMOGPR132LDLR
SCHEMBL21617173 0.99 BRD4 (0.41) BRD4MAPK14SMOGPR132LDLR
SCHEMBL21617187 0.92 MAPK14 (0.44) BRD4MAPK14SMOGPR132LDLR
SCHEMBL31504323 0.92 MAPK14 (0.44) BRD4MAPK14SMOGPR132LDLR
SCHEMBL21617243 0.91 LDLR (0.45) BRD4MAPK14SMOGPR132LDLR
SCHEMBL31504431 0.91 LDLR (0.45) BRD4MAPK14SMOGPR132LDLR
SCHEMBL21617246 0.90 BRD4 (0.40) BRD4MAPK14SMOGPR132LDLR
SCHEMBL31504340 0.90 BRD4 (0.40) BRD4MAPK14SMOGPR132LDLR
SCHEMBL21617302 0.90 SMO (0.44) BRD4MAPK14SMOGPR132LDLR

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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