SCHEMBL694243

SCHEMBL694243

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.40
GPR35 Q9HC97 1/20 0.36
KIF11 P52732 8/20 0.35
SLC11A2 P49281 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NPBWR1 P48145 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL693798 0.84 IKBKB (0.46) KIF11SLC11A2MAPT
SCHEMBL695860 0.84 IMPDH2 (0.40) IMPDH2MGAMGAASIMGAM2
SCHEMBL695820 0.80 IMPDH2 (0.49) IMPDH2MAPT
SCHEMBL694132 0.73 TNKS2 (0.41) IMPDH2MGAMGAASIMGAM2
SCHEMBL4811581 0.71 KIF11 (0.55) IMPDH2KIF11NPBWR1MAPT
SCHEMBL699132 0.71 CDK5 (0.43) IMPDH2KIF11
SCHEMBL4847195 0.69 AHR (0.52) MAPT
SCHEMBL693676 0.68 AHR (0.32)
SCHEMBL8722153 0.67 IMPDH2 (0.65) IMPDH2GAAMAPT
SCHEMBL694758 0.66 CCNB2 (0.43) KIF11TNKSMAPT

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