SCHEMBL11439934

SCHEMBL11439934

CCC(=Cc1cccc([N+](=O)[O-])c1)C(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.61
▸ GLO1 Q04760 2/20 0.59
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NFE2L2 Q16236 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ VCP P55072 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46

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
SCHEMBL11439932 1.00 FBP1 (0.61) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL3629745 0.87 GLO1 (0.61) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL3063302 0.87 GLO1 (0.61) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL1613935 0.87 GLO1 (0.61) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL14267786 0.84 GLO1 (0.59) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL1095183 0.83 GLO1 (0.72) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL3043851 0.83 GLO1 (0.72) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL11100277 0.81 GLO1 (0.68) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL11100274 0.81 GLO1 (0.68) FBP1GLO1ALDH1A1KDM4ELMNA
SCHEMBL11441716 0.80 FBP1 (0.78) FBP1GLO1ALDH1A1LMNAKMT2A

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
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 — — US disclosed
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