SCHEMBL9714140

SCHEMBL9714140

COc1ccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
HTT P42858 1/20 0.72
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
ABCB1 P08183 1/20 0.60
KMT2A Q03164 1/20 0.59
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL9714138 1.00 POLB (0.78) POLBHTTCYP3A4CYP2C9ABCB1
SCHEMBL9714656 0.94 HTT (0.67) POLBHTTCYP3A4CYP2C9ABCB1
SCHEMBL9824849 0.89 POLB (0.78) POLBHTTCYP3A4CYP2C9ABCB1
SCHEMBL9824845 0.89 POLB (0.78) POLBHTTCYP3A4CYP2C9ABCB1
Rh-5849 SCHEMBL1538531 0.88 POLB (1.00) POLBCYP3A4CYP2C9ABCB1HPGD
SCHEMBL9825973 0.87 POLB (0.80) POLBHTTCYP3A4CYP2C9HPGD
SCHEMBL9825975 0.87 POLB (0.80) POLBHTTCYP3A4CYP2C9HPGD
SCHEMBL9714589 0.86 CYP3A4 (0.77) POLBHTTCYP3A4CYP2C9ABCB1
SCHEMBL9714587 0.86 ABCB1 (0.80) POLBHTTCYP3A4CYP2C9ABCB1
SCHEMBL10719128 0.86 ABCB1 (0.71) POLBHTTCYP3A4CYP2C9ABCB1

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