SCHEMBL31504329

SCHEMBL31504329

CC(C)CCNC(=O)c1ccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK14 Q16539 3/20 0.42
▸ SMO Q99835 3/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39

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
SCHEMBL21617202 1.00 BRD4 (0.43) BRD4RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL31504418 0.92 CNR2 (0.42) BRD4MAPK14SMOCNR2MEN1
SCHEMBL21617255 0.92 CNR2 (0.42) BRD4MAPK14SMOCNR2MEN1
SCHEMBL21617159 0.87 CNR2 (0.42) BRD4RAB9ASMN1; SMN2MAPK14SMO
SCHEMBL31504370 0.87 CNR2 (0.42) BRD4RAB9ASMN1; SMN2MAPK14SMO
SCHEMBL21617269 0.80 BRD4 (0.44) BRD4RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL31504444 0.80 BRD4 (0.44) BRD4RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL21617163 0.79 GPR132 (0.48) BRD4RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL31504401 0.79 GPR132 (0.48) BRD4RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL21617246 0.79 BRD4 (0.40) BRD4MAPK14SMOCNR2MEN1

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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