SCHEMBL30930369

SCHEMBL30930369

COc1ccc(N(Cc2n[nH]c3c2CN(C(C)=O)CC3)C(=O)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 10/20 0.45
▸ CREBBP Q92793 10/20 0.45
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MCHR1 Q99705 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 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
SCHEMBL30930320 0.91 MCHR1 (0.46) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930376 0.87 MAPT (0.47) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930414 0.87 MAPT (0.47) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930355 0.80 MAPT (0.42) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930458 0.79 MAPT (0.43) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930310 0.77 MCHR1 (0.39) MAPTNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL30930428 0.76 MEN1 (0.38) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930463 0.76 MEN1 (0.38) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930365 0.76 MAPT (0.51) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL30930306 0.75 NPSR1 (0.43) MAPTNPC1RAB9ASMN1; SMN2MCHR1

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-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN claimed
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN disclosed
Send feedback