SCHEMBL9755970

SCHEMBL9755970

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
HTT P42858 3/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL9756009 0.86 POLB (0.63) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756433 0.84 SMN1; SMN2 (0.49) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756155 0.84 HTT (0.45) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756045 0.83 CYP3A4 (0.49) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756099 0.82 SMN1; SMN2 (0.47) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9755958 0.80 HPGD (0.45) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756135 0.79 CYP3A4 (0.53) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9714227 0.79 POLB (0.71) CYP3A4CYP2C9POLBHPGDSMN1; SMN2
SCHEMBL9755987 0.79 HPGD (0.44) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756439 0.78 HPGD (0.43) CYP3A4CYP2C9HTTCYP2C19HPGD

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