SCHEMBL9756259

SCHEMBL9756259

Cc1cccc(C(=O)N(NC(=O)C#CC(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.61
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.52
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9756128 0.86 CYP3A4 (0.51) ABCB1CYP3A4CYP2C9POLBCYP2C19
SCHEMBL9756009 0.85 POLB (0.63) CYP3A4CYP2C9POLBCYP2C19HTT
SCHEMBL9755880 0.85 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756057 0.85 ABCB1 (0.58) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756052 0.84 ABCB1 (0.64) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL8173866 0.84 ABCB1 (0.57) ABCB1CYP3A4CYP2C9POLBCYP2C19
SCHEMBL9756102 0.83 ABCB1 (0.56) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9756062 0.81 ABCB1 (0.54) ABCB1CYP3A4CYP2C9HPGDTDP1
SCHEMBL9756171 0.81 ABCB1 (0.70) ABCB1CYP3A4CYP2C9POLBHPGD
SCHEMBL9714226 0.81 ABCB1 (0.89) ABCB1CYP3A4CYP2C9POLB

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