SCHEMBL30930428

SCHEMBL30930428

COc1ccc(N(Cc2n[nH]c3c2CCCC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ OXTR P30559 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 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
SCHEMBL30930463 0.98 MEN1 (0.38) MEN1KMT2APABPC1MCHR1CYP2D6
SCHEMBL30930461 0.89 MEN1 (0.36) MEN1KMT2APABPC1MCHR1PARP1
SCHEMBL30930420 0.89 SMN1; SMN2 (0.36) MEN1KMT2APABPC1MCHR1CYP2D6
SCHEMBL30930446 0.89 CYP2D6 (0.37) MEN1KMT2AMCHR1CYP2D6PARP1
SCHEMBL30930328 0.89 MCHR1 (0.38) MEN1KMT2APABPC1MCHR1CYP2D6
SCHEMBL30930422 0.89 OXTR (0.36) MEN1KMT2APABPC1MCHR1CYP2D6
SCHEMBL30930480 0.89 OXTR (0.36) MEN1KMT2APABPC1MCHR1CYP2D6
SCHEMBL30930295 0.89 MEN1 (0.36) MEN1KMT2APABPC1MCHR1MAPT
SCHEMBL30930414 0.89 MAPT (0.47) MEN1KMT2AMCHR1CYP2D6PARP1
SCHEMBL30930454 0.88 MEN1 (0.38) MEN1KMT2APABPC1MCHR1CYP2D6

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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