SCHEMBL9714633

SCHEMBL9714633

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

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ABCB1 P08183 3/20 0.55
CTSD P07339 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MAPT P10636 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
SCHEMBL10722090 0.91 ABCB1 (0.64) ABCB1
SCHEMBL10719126 0.91 ABCB1 (0.50) ALDH1A1ABCB1
SCHEMBL9714635 0.91 POLB (0.63) ALDH1A1ABCB1CTSD
SCHEMBL9714639 0.91 POLB (0.63) ABCB1
Hydrochloric Acid SCHEMBL8166050 0.90 ABCB1 (0.63) ABCB1
Hydrochloric Acid SCHEMBL8177819 0.90 ABCB1 (0.49) ALDH1A1ABCB1
SCHEMBL10722430 0.89 ABCB1 (0.51) ALDH1A1ABCB1
SCHEMBL10722655 0.88 ABCB1 (0.50) ALDH1A1ABCB1
SCHEMBL9714483 0.87 ABCB1 (0.54) ALDH1A1ABCB1KDM4E
SCHEMBL9714479 0.87 ABCB1 (0.55) ALDH1A1ABCB1KDM4E

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