SCHEMBL9532846

SCHEMBL9532846

COC(=O)c1ccc(C)nc1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
BDKRB1 P46663 12/20 0.55
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.46
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL11485899 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL2927336 0.76 BDKRB1 (0.49) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6606668 0.75 KDM4E (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL3977563 0.74 BDKRB1 (0.52) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL2598198 0.73 BDKRB1 (0.47) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL31722799 0.73 BDKRB1 (0.47) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL5653591 0.73 BDKRB1 (0.43) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL3976161 0.72 PPARG (0.50)
SCHEMBL11080662 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL3978885 0.71 BDKRB1 (0.49) ALDH1A1KDM4EHPGDCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed