SCHEMBL30930420

SCHEMBL30930420

COc1ccc(N(Cc2n[nH]c3c2COCC3)C(=O)Nc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ OXTR P30559 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCHR1 Q99705 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 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
SCHEMBL30930454 0.93 MEN1 (0.38) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930463 0.89 MEN1 (0.38) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930428 0.89 MEN1 (0.38) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930328 0.88 MCHR1 (0.38) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930358 0.87 MCHR1 (0.40) MCHR1
SCHEMBL30930461 0.87 MEN1 (0.36) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930351 0.86 MCHR1 (0.36) OXTRMEN1PABPC1KMT2ARECQL
SCHEMBL30930466 0.86 MCHR1 (0.36) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930295 0.86 MEN1 (0.36) SMN1; SMN2OXTRMEN1PABPC1KMT2A
SCHEMBL30930422 0.86 OXTR (0.36) SMN1; SMN2OXTRMEN1PABPC1KMT2A

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 1 patent. 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
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