SCHEMBL9756325

SCHEMBL9756325

C/C=C/C(=O)NN(C(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
HTT P42858 3/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
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
SCHEMBL9756027 1.00 CYP3A4 (0.48) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756328 1.00 CYP3A4 (0.48) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756209 0.85 POLB (0.65) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9755912 0.85 POLB (0.65) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756395 0.85 POLB (0.65) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756023 0.84 CYP3A4 (0.49) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9756135 0.80 CYP3A4 (0.53) CYP3A4CYP2C9HTTCYP2C19POLB
SCHEMBL9714227 0.80 POLB (0.71) CYP3A4CYP2C9POLBSMN1; SMN2HPGD
SCHEMBL9756327 0.77 POLB (0.47) CYP3A4CYP2C9POLBSMN1; SMN2HPGD
SCHEMBL9756029 0.77 POLB (0.47) CYP3A4CYP2C9POLBSMN1; SMN2HPGD

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