SCHEMBL30930461

SCHEMBL30930461

COc1ccc(N(Cc2n[nH]c3c2CSCC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ OXTR P30559 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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 0.89 MEN1 (0.38) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930428 0.89 MEN1 (0.38) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930420 0.87 SMN1; SMN2 (0.36) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930295 0.86 MEN1 (0.36) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930422 0.86 OXTR (0.36) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930328 0.86 MCHR1 (0.38) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930480 0.86 OXTR (0.36) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930454 0.86 MEN1 (0.38) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930323 0.85 MCHR1 (0.36) MEN1PABPC1KMT2AMCHR1OXTR
SCHEMBL30930374 0.85 MCHR1 (0.36) MEN1PABPC1KMT2AMCHR1OXTR

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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