SCHEMBL9756201

SCHEMBL9756201

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.43
ABCB1 P08183 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
SCHEMBL9756072 0.88 SMN1; SMN2 (0.48) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9756113 0.86 POLB (0.60) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9756210 0.86 HPGD (0.46) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9756219 0.82 HPGD (0.58) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9756035 0.81 HPGD (0.46) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9755949 0.80 HPGD (0.52) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9756203 0.79 HPGD (0.46) CYP3A4SMN1; SMN2HPGDPOLBABCB1
SCHEMBL9755950 0.79 ABCB1 (0.62) CYP3A4CYP2C9HPGDABCB1
SCHEMBL9756043 0.78 CYP3A4 (0.49) CYP3A4CYP2C9SMN1; SMN2POLBABCB1
SCHEMBL9756069 0.77 SMN1; SMN2 (0.47) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2

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