SCHEMBL9714340

SCHEMBL9714340

CC(C)Cc1ccc(C(=O)NN(C(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL9714336 0.92 SMN1; SMN2 (0.48) ABCB1HPGDSMN1; SMN2
SCHEMBL5058440 0.88 HPGD (0.64) ABCB1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8167113 0.87 HPGD (0.62) ABCB1HPGDSMN1; SMN2
SCHEMBL9714639 0.85 POLB (0.63) ABCB1
SCHEMBL9714483 0.85 ABCB1 (0.54) ABCB1HPGD
SCHEMBL10718593 0.84 ABCB1 (0.51) ABCB1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL8166856 0.84 ABCB1 (0.53) ABCB1SMN1; SMN2
SCHEMBL9714633 0.82 ALDH1A1 (0.56) ABCB1
SCHEMBL9557448 0.80 CTSD (0.40) HPGDSMN1; SMN2
SCHEMBL9825684 0.80 SMN1; SMN2 (0.64) ABCB1HPGDSMN1; SMN2

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