SCHEMBL9714400

SCHEMBL9714400

CC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.64

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
SCHEMBL9714396 0.91 ABCB1 (0.56) ABCB1
SCHEMBL10718344 0.86 ABCB1 (0.57) ABCB1
SCHEMBL10722090 0.85 ABCB1 (0.64) ABCB1
SCHEMBL9714372 0.85 ABCB1 (0.76) ABCB1
SCHEMBL9714639 0.85 POLB (0.63) ABCB1
Hydrochloric Acid SCHEMBL8166050 0.84 ABCB1 (0.63) ABCB1
SCHEMBL9714483 0.84 ABCB1 (0.54) ABCB1
SCHEMBL9714633 0.84 ALDH1A1 (0.56) ABCB1
SCHEMBL9877030 0.83 ABCB1 (0.54) ABCB1
Hydrochloric Acid SCHEMBL8166856 0.83 ABCB1 (0.53) 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 1 patent. 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