SCHEMBL9714611

SCHEMBL9714611

COc1cccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.69
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
POLB P06746 1/20 0.56
HTT P42858 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
Hydrochloric Acid SCHEMBL8177261 0.99 ABCB1 (0.68) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL9714607 0.95 ABCB1 (0.73) ABCB1CYP3A4CYP2C9POLBHTT
Hydrochloric Acid SCHEMBL8166927 0.94 ABCB1 (0.71) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL9714589 0.90 CYP3A4 (0.77) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL9714143 0.90 ABCB1 (0.83) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL10722009 0.88 ABCB1 (0.70) ABCB1CYP3A4CYP2C9POLBHTT
Benzoyl Chloride SCHEMBL8173611 0.88 ABCB1 (0.64) ABCB1CYP3A4CYP2C9POLBHTT
SCHEMBL10719344 0.86 ABCB1 (0.61) ABCB1CYP3A4CYP2C9
SCHEMBL9714331 0.86 CYP3A4 (0.70) ABCB1CYP3A4CYP2C9POLB
Hydrochloric Acid SCHEMBL8178503 0.85 CYP3A4 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed