SCHEMBL9825684

SCHEMBL9825684

CCc1ccc(C(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
HPGD P15428 1/20 0.64
ABCB1 P08183 3/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSD P07339 1/20 0.47

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
SCHEMBL5058440 0.91 HPGD (0.64) SMN1; SMN2HPGDABCB1CYP3A4
Hydrochloric Acid SCHEMBL8167113 0.90 HPGD (0.62) SMN1; SMN2HPGDABCB1CYP3A4
SCHEMBL9714635 0.88 POLB (0.63) ABCB1CYP3A4ALDH1A1POLBCTSD
SCHEMBL9714336 0.88 SMN1; SMN2 (0.48) SMN1; SMN2HPGDABCB1ALDH1A1GAA
SCHEMBL9714479 0.87 ABCB1 (0.55) SMN1; SMN2HPGDABCB1ALDH1A1GAA
SCHEMBL9714633 0.84 ALDH1A1 (0.56) ABCB1ALDH1A1CTSD
SCHEMBL10720263 0.81 HPGD (0.70) SMN1; SMN2HPGD
SCHEMBL9825307 0.81 HPGD (0.70) SMN1; SMN2HPGDABCB1CYP3A4POLB
SCHEMBL9714396 0.81 ABCB1 (0.56) ABCB1CYP3A4LMNANPSR1
SCHEMBL10718593 0.81 ABCB1 (0.51) SMN1; SMN2HPGDABCB1

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-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed