SCHEMBL694132

SCHEMBL694132

Cc1[nH]c2c[c]ccc2c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
IMPDH2 P12268 1/20 0.36
PIM1 P11309 1/20 0.36
AHR P35869 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 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
SCHEMBL693798 0.83 IKBKB (0.46) KDM4EMAPTMAPK14
SCHEMBL695860 0.82 IMPDH2 (0.40) TNKS2ALDH1A1LMNAMAPTMGAM
SCHEMBL695820 0.82 IMPDH2 (0.49) ALDH1A1HPGDLMNAKDM4EMAPT
SCHEMBL704586 0.81 IMPDH2 (0.55) TNKS2ALDH1A1HPGDLMNAKDM4E
SCHEMBL715972 0.75 PTGS1 (0.43) KDM4EMAPTMEN1KMT2A
SCHEMBL694243 0.73 IMPDH2 (0.40) TNKS2MAPTMGAMGAASI
SCHEMBL694176 0.72 DRD2 (0.43) TNKS2ALDH1A1HPGDLMNAKDM4E
SCHEMBL700089 0.71 PIM1 (0.49) PIM1
SCHEMBL16720027 0.70 ALDH1A1 (0.48) ALDH1A1HPGDLMNAKDM4EMAPT
SCHEMBL2012945 0.68 ACHE (0.39) TNKS2HPGDKDM4EMAPTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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