SCHEMBL10721229

SCHEMBL10721229

CCC(N(NC(=O)c1ccc(C)cc1)C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CTSD P07339 1/20 0.41

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
SCHEMBL10719249 0.80 ABCB1 (0.43) ALDH1A1GAALMNASMN1; SMN2MEN1
SCHEMBL9714483 0.79 ABCB1 (0.54) ALDH1A1GAALMNAKDM4ETP53
SCHEMBL9825708 0.78 ALDH1A1 (0.46) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL10721628 0.77 ABCB1 (0.53) —
SCHEMBL10722370 0.76 MEN1 (0.41) ALDH1A1GAALMNAKDM4ETP53
SCHEMBL9714479 0.73 ABCB1 (0.55) ALDH1A1GAALMNAKDM4ETP53
SCHEMBL5058440 0.72 HPGD (0.64) HPGDSMN1; SMN2
SCHEMBL9825403 0.72 ALDH1A1 (0.42) ALDH1A1GAALMNAKDM4ETP53
SCHEMBL17416640 0.72 ABCB1 (0.46) —
Hydrochloric Acid SCHEMBL8167113 0.72 HPGD (0.62) HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 — — EP disclosed
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