SCHEMBL10890189

SCHEMBL10890189

COc1ccc(-c2c[nH]c(=O)c(C#N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.68
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 1/20 0.65
PIK3CD O00329 1/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10886965 0.84 KDM4E (0.64) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10889950 0.82 MCL1 (0.60) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL8305565 0.80 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11167009 0.80 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10892490 0.80 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10891641 0.80 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11168852 0.80 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10887196 0.79 MCL1 (0.56) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL5397726 0.79 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL7281879 0.76 PIK3CD (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599423-A Preparation of 5-(hydroxy- and/or aminophenyl-6-lower-alkyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1986-07-08 US disclosed
US-4559352-A 1,2-Dihydro-2-oxo-5-(hydroxy-and/or amino-phenyl)-nicotinonitriles and cardiotonic use thereof STERLING DRUG INC. (US) 1985-12-17 US disclosed
US-4515797-A 3-Amino-5-(hydroxy- and/or aminophenyl)-6-(lower-alkyl)-2(1H)-pyridinones and cardiotonic use thereof STERLING DRUG INC. (US) 1985-05-07 US disclosed
US-4465686-A 5-(Hydroxy- and/or amino-phenyl)-6-(lower-alkyl)-2-(1H)-pyridinones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1984-08-14 US disclosed
EP-0074091-A2 2(1H)-pyridinones and preparation thereof STERLING DRUG INC. (US) 1983-03-16 EP disclosed
EP-0061774-A2 3-Amino-5-(substituted)-2 (1H) pyridinones and 3-cyano compounds useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1982-10-06 EP disclosed