SCHEMBL5809667

SCHEMBL5809667

Cc1nc(-c2ccccc2)[nH]c(=O)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 1/20 0.57
PPARG P37231 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
POLB P06746 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
XDH P47989 1/20 0.52
TNKS O95271 2/20 0.49
PARP1 P09874 2/20 0.49
TNKS2 Q9H2K2 2/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL19665221 0.83 HPGD (1.00) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL8380313 0.81 HPGD (0.65) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL7496014 0.78 POLB (0.72) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL5784174 0.77 HPGD (0.47) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL4142417 0.75 HTT (0.50) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL1162891 0.74 HPGD (0.80) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL19665220 0.73 HPGD (0.59) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL20570670 0.73 HPGD (0.79) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL26847401 0.72 HPGD (0.56) HPGDALDH1A1CYP1A2CYP2C9MEN1
SCHEMBL13851751 0.72 PDE5A (0.55) HPGDALDH1A1CYP1A2MEN1KMT2A

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-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 WO disclosed