SCHEMBL9966508

SCHEMBL9966508

NC(=O)C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.48
MAP4K4 O95819 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
IDO1 P14902 2/20 0.44
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9966507 0.83 ALOX5AP (0.47) ALOX5APMAP4K4IDO1HSD11B1
SCHEMBL10240437 0.82 ALOX5AP (0.46) ALOX5APMAP4K4HSD11B1
SCHEMBL1951679 0.81 MAP4K4 (0.54) ALOX5APMAP4K4LMNAMAPT
SCHEMBL25422745 0.80 ALOX5 (0.45) MAP4K4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14315175 0.79 HDAC1 (0.52) ALOX5APIDO1LMNA
SCHEMBL9966409 0.79 HDAC1 (0.56) ALOX5APIDO1LMNA
SCHEMBL16592743 0.78 ALOX5AP (0.48) ALOX5APMAP4K4IDO1HSD11B1
SCHEMBL14325150 0.78 HDAC1 (0.46) ALOX5APMAP4K4IDO1
SCHEMBL9966281 0.78 LMNA (0.60) ALOX5APIDO1LMNA
SCHEMBL9966446 0.78 HDAC1 (0.52) ALOX5APIDO1

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-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed