SCHEMBL9714635

SCHEMBL9714635

CC(C)(C)N(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ABCB1 P08183 2/20 0.55
ALDH1A1 P00352 1/20 0.52
CTSD P07339 1/20 0.50

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
SCHEMBL9714479 0.91 ABCB1 (0.55) POLBABCB1ALDH1A1
SCHEMBL9714633 0.91 ALDH1A1 (0.56) ABCB1ALDH1A1CTSD
SCHEMBL10722623 0.90 POLB (0.58) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714639 0.90 POLB (0.63) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9825684 0.88 SMN1; SMN2 (0.64) POLBCYP3A4ABCB1ALDH1A1CTSD
SCHEMBL9714285 0.87 ABCB1 (0.58) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714095 0.87 POLB (0.56) POLBCYP3A4CYP2C9ABCB1
SCHEMBL10722858 0.86 POLB (0.55) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714336 0.85 SMN1; SMN2 (0.48) POLBABCB1ALDH1A1CTSD
SCHEMBL9714396 0.85 ABCB1 (0.56) CYP3A4CYP2C9ABCB1

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 3 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
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed