SCHEMBL9714336

SCHEMBL9714336

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.46
ABCB1 P08183 2/20 0.45
CTSD P07339 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL9714340 0.92 ABCB1 (0.49) SMN1; SMN2HPGDABCB1
SCHEMBL9825684 0.88 SMN1; SMN2 (0.64) SMN1; SMN2HPGDPOLBABCB1CTSD
SCHEMBL9714635 0.85 POLB (0.63) POLBABCB1CTSDALDH1A1
SCHEMBL9714479 0.85 ABCB1 (0.55) SMN1; SMN2HPGDPOLBABCB1ALDH1A1
SCHEMBL9714633 0.82 ALDH1A1 (0.56) ABCB1CTSDALDH1A1
SCHEMBL9557448 0.80 CTSD (0.40) SMN1; SMN2HPGDCTSDALDH1A1GAA
SCHEMBL5058440 0.80 HPGD (0.64) SMN1; SMN2HPGDABCB1
Hydrochloric Acid SCHEMBL8167113 0.79 HPGD (0.62) SMN1; SMN2HPGDABCB1
SCHEMBL9714396 0.79 ABCB1 (0.56) ABCB1
SCHEMBL9557291 0.78 TP53 (0.38) SMN1; SMN2HPGDCTSDALDH1A1GAA

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 2 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