SCHEMBL31504444

SCHEMBL31504444

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.44
▸ GPR132 Q9UNW8 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK14 Q16539 3/20 0.42
▸ SMO Q99835 3/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ NR1H4 Q96RI1 2/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ F3 P13726 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
SCHEMBL21617269 1.00 BRD4 (0.44) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL31504407 0.90 SMO (0.46) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617162 0.90 SMO (0.46) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617234 0.89 BRD4 (0.49) BRD4GPR132MAPK14SMONR1H4
SCHEMBL21617255 0.88 CNR2 (0.42) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL31504418 0.88 CNR2 (0.42) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL31504401 0.87 GPR132 (0.48) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617163 0.87 GPR132 (0.48) BRD4GPR132TP53RXFP1MAPK14
SCHEMBL21617233 0.87 GPR132 (0.49) GPR132MAPK14SMONR1H4SMN1; SMN2
SCHEMBL31504352 0.87 GPR132 (0.49) GPR132MAPK14SMONR1H4SMN1; SMN2

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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