SCHEMBL18887412

SCHEMBL18887412

Cc1cccc2c1c(Cc1nn(Cc3nnn[nH]3)c(=O)c3ccccc13)cn2C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 14/20 0.66
▸ CTSG P08311 1/20 0.40
▸ AKR1B1 P15121 2/20 0.35
▸ AR P10275 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
SCHEMBL7965706 0.83 CMA1 (0.44) CMA1AKR1B1AR
SCHEMBL18900941 0.82 CMA1 (0.79) CMA1CTSG
SCHEMBL7960258 0.80 CMA1 (1.00) CMA1CTSGAKR1B1
SCHEMBL6115259 0.79 CMA1 (1.00) CMA1CTSG
SCHEMBL6115315 0.77 CMA1 (0.67) CMA1CTSGAKR1B1
SCHEMBL1847165 0.76 CMA1 (0.80) CMA1
SCHEMBL1848893 0.74 AR (0.63) CMA1AR
SCHEMBL7961797 0.74 CMA1 (0.78) CMA1CTSG
SCHEMBL18900823 0.73 CMA1 (0.79) CMA1CTSG
SCHEMBL7951286 0.72 CMA1 (1.00) 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-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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