SCHEMBL9714256

SCHEMBL9714256

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.68
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ ABCB1 P08183 4/20 0.57

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
SCHEMBL9714261 0.95 CYP3A4 (0.75) POLBCYP3A4CYP2C9ABCB1
SCHEMBL8180410 0.89 ABCB1 (0.71) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714102 0.87 POLB (0.76) POLBCYP3A4CYP2C9
SCHEMBL9714106 0.87 POLB (0.76) POLBCYP3A4CYP2C9
Rh-5849 SCHEMBL1538531 0.82 POLB (1.00) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9825393 0.81 POLB (0.63) POLBCYP3A4CYP2C9ABCB1
SCHEMBL8174583 0.81 POLB (0.75) POLBCYP3A4CYP2C9ABCB1
SCHEMBL8178344 0.81 ABCB1 (0.84) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714620 0.81 POLB (0.65) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714587 0.81 ABCB1 (0.80) POLBCYP3A4CYP2C9ABCB1

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 2 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
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