SCHEMBL9714261

SCHEMBL9714261

CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cccc(C#N)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ POLB P06746 1/20 0.68
▸ ABCB1 P08183 2/20 0.54

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
SCHEMBL9714256 0.95 POLB (0.68) CYP3A4CYP2C9POLBABCB1
SCHEMBL8180410 0.89 ABCB1 (0.71) CYP3A4CYP2C9POLBABCB1
SCHEMBL9714102 0.87 POLB (0.76) CYP3A4CYP2C9POLB
SCHEMBL9714106 0.87 POLB (0.76) CYP3A4CYP2C9POLB
SCHEMBL10719534 0.84 ABCB1 (0.67) CYP3A4CYP2C9POLBABCB1
Rh-5849 SCHEMBL1538531 0.82 POLB (1.00) CYP3A4CYP2C9POLBABCB1
SCHEMBL9825399 0.81 CYP3A4 (0.70) CYP3A4CYP2C9POLBABCB1
SCHEMBL9507281 0.81 CYP3A4 (0.83) CYP3A4CYP2C9POLBABCB1
SCHEMBL9714620 0.81 POLB (0.65) CYP3A4CYP2C9POLBABCB1
SCHEMBL9714589 0.81 CYP3A4 (0.77) CYP3A4CYP2C9POLBABCB1

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
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