SCHEMBL9714499

SCHEMBL9714499

COc1cccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9714493 0.91 ABCB1 (0.57) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714387 0.86 POLB (0.67) POLBCYP3A4CYP2C9
SCHEMBL9714357 0.85 ABCB1 (0.70) ABCB1
SCHEMBL5056900 0.82 ABCB1 (0.75) ABCB1CYP3A4
SCHEMBL9714639 0.81 POLB (0.63) ABCB1POLBCYP3A4CYP2C9
SCHEMBL10722430 0.80 ABCB1 (0.51) ABCB1
SCHEMBL9714474 0.79 CYP3A4 (0.60) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9557412 0.79 SMN1; SMN2 (0.42) ABCB1POLB
SCHEMBL9714386 0.78 POLB (0.67) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714470 0.77 POLB (0.57) ABCB1POLBCYP3A4CYP2C9

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