SCHEMBL9755944

SCHEMBL9755944

Cc1cccc(C(=O)N(NC(=O)C2=CCC2)C(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.67
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.51

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
SCHEMBL9756129 0.91 ABCB1 (0.61) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9755947 0.90 ABCB1 (0.70) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756030 0.90 ABCB1 (0.70) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756080 0.90 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9755995 0.90 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756083 0.90 ABCB1 (0.60) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756373 0.86 CYP3A4 (0.56) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756443 0.85 POLB (0.70) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9714226 0.85 ABCB1 (0.89) ABCB1CYP3A4CYP2C9POLB
SCHEMBL10722074 0.83 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