SCHEMBL6590093

SCHEMBL6590093

COC(=O)c1ccc(-c2cccc(CN(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
ABCB1 P08183 4/20 0.44
HTR7 P34969 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SIRT6 Q8N6T7 1/20 0.39
HSD17B2 P37059 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
ABCC1 P33527 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AOC3 Q16853 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL590012 0.86 SMN1; SMN2 (0.45) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2271534 0.81 ABCB1 (0.61) ERN1ABCB1ABCC1MEN1KMT2A
SCHEMBL5191949 0.79 ABCB1 (0.48) ERN1ABCB1SIRT6ABCC1ALDH1A1
SCHEMBL8301315 0.79 SIRT6 (0.53) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1318407 0.77 HSD17B2 (0.54) HTR7CYP4F2CYP4A11HSD17B2F2
SCHEMBL5195057 0.75 SLC6A4 (0.49) ERN1ABCB1SIRT6PDGFRBFGFR1
SCHEMBL5192816 0.75 KDM4E (0.52) ERN1ABCB1HTR7ALDH1A1SMN1; SMN2
SCHEMBL6204581 0.74 SMN1; SMN2 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL6587082 0.74 HDAC1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5192099 0.74 ABCB1 (0.45) ERN1ABCB1SIRT6PDGFRBFGFR1

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-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO disclosed