SCHEMBL12431491

SCHEMBL12431491

CCOC(CC(=O)N[S+]([O-])c1ccccc1)n1c(=O)n(Cc2csc3cccc(C)c23)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 18/20 0.52
▸ CTSG P08311 5/20 0.52
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL2311357 0.88 CMA1 (0.64) CMA1CTSGMEN1KMT2ACYP1A2
SCHEMBL12432915 0.88 CMA1 (0.52) CMA1CTSGMEN1KMT2A
SCHEMBL8118090 0.84 CMA1 (0.54) CMA1CTSGMEN1KMT2ACYP1A2
SCHEMBL2313676 0.84 CMA1 (0.53) CMA1CTSGMEN1KMT2A
SCHEMBL2313253 0.84 CMA1 (0.58) CMA1CTSGMEN1KMT2ACYP1A2
SCHEMBL12431829 0.82 CMA1 (0.46) CMA1CTSGMEN1KMT2A
SCHEMBL2311444 0.80 CMA1 (0.55) CMA1CTSGMEN1KMT2A
SCHEMBL2312188 0.80 CMA1 (0.65) CMA1CTSGMEN1KMT2A
SCHEMBL2309949 0.80 CMA1 (0.55) CMA1CTSGMEN1KMT2A
SCHEMBL2312449 0.78 CMA1 (0.70) CMA1CTSG

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
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 — — EP disclosed
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