SCHEMBL31504418

SCHEMBL31504418

CC(C)CCNC(=O)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ GPR132 Q9UNW8 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPK14 Q16539 3/20 0.40
▸ SMO Q99835 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ NAMPT P43490 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
SCHEMBL21617255 1.00 CNR2 (0.42) CNR2BRD4GPR132MEN1KMT2A
SCHEMBL31504329 0.92 BRD4 (0.43) CNR2BRD4MEN1KMT2AMAPK14
SCHEMBL21617202 0.92 BRD4 (0.43) CNR2BRD4MEN1KMT2AMAPK14
SCHEMBL21617269 0.88 BRD4 (0.44) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL31504444 0.88 BRD4 (0.44) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617162 0.88 SMO (0.46) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL31504407 0.88 SMO (0.46) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617246 0.87 BRD4 (0.40) CNR2BRD4GPR132MEN1KMT2A
SCHEMBL31504340 0.87 BRD4 (0.40) CNR2BRD4GPR132MEN1KMT2A
SCHEMBL21617185 0.86 HPGD (0.40) CNR2BRD4GPR132MEN1KMT2A

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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