SCHEMBL30930454

SCHEMBL30930454

COc1ccc(N(Cc2n[nH]c3c2COC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ OXTR P30559 4/20 0.38
▸ MCHR1 Q99705 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30930420 0.93 SMN1; SMN2 (0.36) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930463 0.90 MEN1 (0.38) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930364 0.89 MAPT (0.36) MEN1KMT2AMCHR1SMN1; SMN2MAPT
SCHEMBL30930428 0.88 MEN1 (0.38) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930328 0.87 MCHR1 (0.38) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930461 0.86 MEN1 (0.36) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930374 0.85 MCHR1 (0.36) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930466 0.85 MCHR1 (0.36) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930351 0.85 MCHR1 (0.36) MEN1PABPC1KMT2AOXTRMCHR1
SCHEMBL30930311 0.85 MCHR1 (0.38) MEN1PABPC1KMT2AOXTRMCHR1

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
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