SCHEMBL8504201

SCHEMBL8504201

CCCSC(C)COc1cccc2c(Cl)c(C(=O)CC)cnc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL8187622 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL8187555 0.81 MEN1 (0.43) MEN1KMT2A
SCHEMBL8187701 0.80 MEN1 (0.42) MEN1KMT2A
SCHEMBL8177897 0.79 MEN1 (0.42) MEN1KMT2A
SCHEMBL9267427 0.79 MEN1 (0.51) MEN1KMT2A
SCHEMBL8501876 0.78 MEN1 (0.43) MEN1KMT2A
SCHEMBL8188099 0.74 — —
SCHEMBL8188044 0.74 — —
SCHEMBL774957 0.73 ATP4A (0.61) —
SCHEMBL9272003 0.72 MEN1 (0.47) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889021-A GASTROINTESTINAL DISORDERS; ANTISECRETORY AGENTS; ANTIINFLAMMATORY AGENTS ASTRA AKTIEBOLAG (SE) 1999-03-30 — — US disclosed
US-5556863-A ANTIINFLAMMATORY AGENTS AND ANTISECRETORY AGENTS FOR GASTRIC JUICE ASTRA AKTIEBOLAG (SE) 1996-09-17 — — US disclosed
EP-0702672-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1996-03-27 — — EP disclosed
WO-1994029274-A1 NEW ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-12-22 — — WO disclosed
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