SCHEMBL30132640

SCHEMBL30132640

C=CC(=O)NC1COc2cccc(Oc3ccc(Cl)cc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TEAD1 P28347 1/20 0.39
MTNR1A P48039 2/20 0.38
SCN9A Q15858 5/20 0.38
KCNH2 Q12809 3/20 0.38
SCN5A Q14524 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
MTNR1B P49286 1/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL19054514 1.00 TP53 (0.40) TP53TEAD1MTNR1ASCN9AKCNH2
SCHEMBL30132586 0.87 TEAD1 (0.50) TEAD1MTNR1ASCN9AKCNH2SCN5A
SCHEMBL19054515 0.87 TEAD1 (0.50) TEAD1MTNR1ASCN9AKCNH2SCN5A
SCHEMBL24088989 0.86 MTNR1A (0.52) TP53MTNR1ASCN9AKCNH2SCN5A
SCHEMBL20554320 0.84 TP53 (0.41) TP53TEAD1MTNR1AKCNH2POLB
SCHEMBL19054517 0.80 TEAD1 (0.38) TP53TEAD1MTNR1AKCNH2POLB
SCHEMBL19054508 0.79 TP53 (0.43) TP53TEAD1MTNR1APOLBMAPT
SCHEMBL30132600 0.79 TP53 (0.43) TP53TEAD1MTNR1APOLBMAPT
SCHEMBL19054516 0.79 MTNR1A (0.53) TP53TEAD1MTNR1APOLBMAPT
SCHEMBL22472832 0.74 POLB (0.40) TEAD1MTNR1APOLBMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed