SCHEMBL30930458

SCHEMBL30930458

COc1ccc(N(Cc2n[nH]c3c2CCCC3)C(=O)Nc2ccc(F)c(Cl)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 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
SCHEMBL30930414 0.92 MAPT (0.47) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930355 0.90 MAPT (0.42) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930376 0.90 MAPT (0.47) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930446 0.87 CYP2D6 (0.37) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930428 0.87 MEN1 (0.38) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930463 0.86 MEN1 (0.38) MAPTMEN1KMT2APARP1SMN1; SMN2
SCHEMBL30930306 0.85 NPSR1 (0.43) MAPTTP53MEN1KMT2APARP1
SCHEMBL30930310 0.85 MCHR1 (0.39) MAPTTP53MEN1KMT2ASMN1; SMN2
SCHEMBL30930375 0.84 CYP2D6 (0.39) MAPTTP53KMT2APARP1THRB
SCHEMBL30930472 0.84 CYP2D6 (0.39) MAPTTP53KMT2APARP1THRB

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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