SCHEMBL694914

SCHEMBL694914

Fc1ccc(-c2cc3c(F)[c]ccc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KIT P10721 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TNKS O95271 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL695264 0.85 CTSV (0.49) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL4667674 0.72 KEAP1 (0.43) SMN1; SMN2KDM4EHPGDALDH1A1LMNA
SCHEMBL695386 0.71 CYP1A1 (0.45) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL694089 0.70 CTSV (0.50) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL694253 0.70 CTSV (0.58) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL694967 0.68 CTSV (0.44) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL30234925 0.68 TNKS (0.68) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL6001399 0.67 CTSV (1.00) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL16720322 0.67 CTSV (0.43) CTSVCTSLSMN1; SMN2KDM4EHPGD
SCHEMBL694976 0.67 KDM4E (0.44) CTSVCTSLSMN1; SMN2KDM4EHPGD

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed