SCHEMBL9755866

SCHEMBL9755866

C=CC(=O)NN(C(=O)c1cccc(C)c1)C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.64
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 2/20 0.55
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9755917 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756031 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756088 0.85 CYP3A4 (0.53) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL9755911 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756244 0.84 POLB (0.67) ABCB1CYP3A4CYP2C9POLBCYP2C19
SCHEMBL9756156 0.83 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756171 0.83 ABCB1 (0.70) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9714226 0.83 ABCB1 (0.89) ABCB1CYP3A4CYP2C9POLB
SCHEMBL10594047 0.82 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL10719532 0.81 ABCB1 (0.67) ABCB1CYP3A4CYP2C9POLBHPGD

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