SCHEMBL9714639

SCHEMBL9714639

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
ABCB1 P08183 1/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL9714483 0.91 ABCB1 (0.54) POLBABCB1
SCHEMBL9714633 0.91 ALDH1A1 (0.56) ABCB1
Hydrochloric Acid SCHEMBL8166856 0.90 ABCB1 (0.53) POLBABCB1
SCHEMBL9714635 0.90 POLB (0.63) POLBABCB1CYP3A4CYP2C9
SCHEMBL5058440 0.88 HPGD (0.64) ABCB1CYP3A4
Hydrochloric Acid SCHEMBL8167113 0.87 HPGD (0.62) ABCB1CYP3A4
SCHEMBL9714291 0.87 ABCB1 (0.64) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714096 0.87 POLB (0.56) POLBABCB1CYP3A4CYP2C9
SCHEMBL10718344 0.86 ABCB1 (0.57) ABCB1
SCHEMBL9714340 0.85 ABCB1 (0.49) ABCB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US claimed
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
US-4716046-A IMPREGNATION WITH SUCROSE AND GUM ARABIC DRIDRINKS N.V. (AN) 1987-12-29 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed