SCHEMBL14166196

SCHEMBL14166196

COc1cc(NCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
GAA P10253 3/20 0.63
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPK1 P28482 1/20 0.63
HTR6 P50406 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABCB1 P08183 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
HIF1A Q16665 1/20 0.48
PTPRF P10586 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL1663322 0.83 HTR6 (0.63) MAPTHTR6MEN1KMT2AHTT
SCHEMBL2033918 0.82 KDM4E (0.53) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL20718866 0.81 ALDH1A1 (0.56) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL9537129 0.80 MAPT (0.60) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL5309365 0.79 HIF1A (0.63) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL23579266 0.79 HTR6 (0.59) MAPTGAAHTR6MEN1KMT2A
SCHEMBL18702632 0.79 MEN1 (0.67) MAPTALDH1A1MAPK1HTR6MEN1
SCHEMBL2036624 0.78 KDM4E (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10654179 0.78 MAPT (0.55) MAPTGAAALDH1A1L3MBTL1KDM4E
SCHEMBL4535542 0.78 ALDH1A1 (0.52) MAPTGAAALDH1A1L3MBTL1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718278-A1 COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA-MEDIATED DISEASES Philipps-Universität Marburg (DE) 2014-04-16 EP disclosed
WO-2012168345-A1 COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA-MEDIATED DISEASES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2012-12-13 WO disclosed
WO-2012168345-A1 COMPOUNDS AS PPAR BETA/DELTA INHIBITORS FOR TREATING PPAR BETA/DELTA-MEDIATED DISEASES PHILIPPS-UNIVERSITÄT MARBURG (DE) 2012-12-13 WO disclosed