SCHEMBL695860

SCHEMBL695860

Cc1[nH]c2c[c]ccc2c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.40
PTGS2 P35354 3/20 0.39
MAPK14 Q16539 5/20 0.36
TNKS2 Q9H2K2 1/20 0.35
GAA P10253 4/20 0.34
EIF2AK2 P19525 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL695820 0.84 IMPDH2 (0.49) IMPDH2PTGS2MEN1MAPTKMT2A
SCHEMBL694243 0.84 IMPDH2 (0.40) IMPDH2TNKS2GAAMAPTMGAM
SCHEMBL694132 0.82 TNKS2 (0.41) IMPDH2MAPK14TNKS2GAAMAPK13
SCHEMBL27701196 0.77 IMPDH2 (0.65) IMPDH2PTGS2MAPK14GAAEIF2AK2
SCHEMBL694108 0.75 PTGS1 (0.55) PTGS2GAAMAPTALDH1A1LMNA
SCHEMBL693798 0.74 IKBKB (0.46) MAPK14MAPTHTR2AHTR2C
SCHEMBL4847195 0.72 AHR (0.52) MAPTALDH1A1SMN1; SMN2
SCHEMBL9272855 0.71 KIF11 (0.50) IMPDH2PTGS2GAAMEN1MAPT
SCHEMBL693676 0.71 AHR (0.32)
SCHEMBL8722153 0.70 IMPDH2 (0.65) IMPDH2PTGS2GAAMEN1MAPT

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 6 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
WO-2010124108-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-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