SCHEMBL31504407

SCHEMBL31504407

Cc1cc(OCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 6/20 0.46
▸ MAPK14 Q16539 4/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ GPR132 Q9UNW8 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL21617162 1.00 SMO (0.46) SMOMAPK14BRD4GPR132TP53
SCHEMBL21617238 0.95 BRD4 (0.47) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL31504349 0.95 BRD4 (0.47) SMOMAPK14BRD4GPR132KCNH2
SCHEMBL21617180 0.91 NPC1 (0.43) TP53RXFP1CNR1NR1H4
SCHEMBL21617269 0.90 BRD4 (0.44) SMOMAPK14BRD4GPR132TP53
SCHEMBL31504444 0.90 BRD4 (0.44) SMOMAPK14BRD4GPR132TP53
SCHEMBL21617163 0.88 GPR132 (0.48) SMOMAPK14BRD4GPR132TP53
SCHEMBL31504401 0.88 GPR132 (0.48) SMOMAPK14BRD4GPR132TP53
SCHEMBL21617209 0.88 BRD4 (0.49) SMOMAPK14BRD4GPR132NR1H4
SCHEMBL21617218 0.88 SMN1; SMN2 (0.47) SMOMAPK14

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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