SCHEMBL8105798

SCHEMBL8105798

Nc1ccc2c(c1)n(Cc1cccc3ccccc13)c(=O)n2CCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.79
CTSG P08311 5/20 0.54
SLC12A2 P55011 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL8113055 1.00 CMA1 (0.79) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2312625 0.89 CMA1 (1.00) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL8113260 0.86 CMA1 (0.58) CMA1CTSGKMT2A
SCHEMBL2311537 0.84 CMA1 (0.74) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2313128 0.84 CMA1 (0.74) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2318188 0.83 CMA1 (0.71) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2310335 0.81 CMA1 (0.84) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2310271 0.80 CMA1 (0.79) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2312014 0.80 CMA1 (0.67) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2311834 0.80 CMA1 (0.67) CMA1CTSGSLC12A2KMT2ASLC12A5

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
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed