SCHEMBL9756045

SCHEMBL9756045

C#CC(=O)NN(C(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 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
SCHEMBL9756202 0.85 POLB (0.67) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9755970 0.83 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9756135 0.81 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9714227 0.81 POLB (0.71) CYP3A4CYP2C9POLBHPGDSMN1; SMN2
SCHEMBL9756155 0.81 HTT (0.45) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9756433 0.81 SMN1; SMN2 (0.49) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9756099 0.79 SMN1; SMN2 (0.47) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9756082 0.78 POLB (0.50) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9756219 0.78 HPGD (0.58) CYP3A4CYP2C9CYP2C19HTTPOLB
SCHEMBL9755958 0.77 HPGD (0.45) CYP3A4CYP2C9CYP2C19HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed