SCHEMBL695280

SCHEMBL695280

Fc1ccc(-c2n[nH]c3cc[c]cc23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.52
MAP2K4 P45985 6/20 0.42
MAPK1 P28482 5/20 0.42
MAPK6 Q16659 5/20 0.42
MAPKAPK2 P49137 4/20 0.42
MAPKAPK3 Q16644 4/20 0.42
IDO1 P14902 3/20 0.38
NOTUM Q6P988 1/20 0.38
NTRK1 P04629 1/20 0.35
AURKA O14965 1/20 0.35
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TTK P33981 1/20 0.34
MAPK10 P53779 1/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL695357 0.83 MAP2K4 (0.45) TRPA1MAP2K4MAPK1MAPK6MAPKAPK2
SCHEMBL694710 0.81 MAP2K4 (0.48) MAP2K4MAPK1MAPK6MAPKAPK3IDO1
SCHEMBL699588 0.76 MAP2K4 (0.54) TRPA1MAP2K4MAPK1MAPK6MAPKAPK2
SCHEMBL694496 0.76 ALDH1A1 (0.61) MAP2K4MAPK1MAPK6MAPKAPK3IDO1
SCHEMBL23782742 0.74 IDO1 (0.35) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL699881 0.74 PIM1 (0.52) TRPA1MAP2K4MAPK1MAPK6MAPKAPK2
SCHEMBL12193576 0.74 TRPA1 (0.54) TRPA1MAP2K4MAPK1MAPK6MAPKAPK2
SCHEMBL5660396 0.73 IDO1 (0.43) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL18188335 0.73 KDM4E (0.32) IDO1KDM4EALDH1A1ALPLGAA
SCHEMBL21143014 0.73 NR4A2 (0.41) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed