SCHEMBL9756439

SCHEMBL9756439

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

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL9755987 0.99 HPGD (0.44) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9755958 0.95 HPGD (0.45) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9756099 0.91 SMN1; SMN2 (0.47) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9756455 0.88 POLB (0.52) HPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9755951 0.87 POLB (0.53) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9756433 0.86 SMN1; SMN2 (0.49) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9755978 0.83 POLB (0.55) HPGDSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL9756441 0.82 HPGD (0.43) HPGDSMN1; SMN2
SCHEMBL9755994 0.81 ABCB1 (0.52) HPGDCYP3A4CYP2C9
SCHEMBL9755921 0.81 CYP3A4 (0.44) CYP3A4CYP2C9

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 3 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-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed