SCHEMBL577704

SCHEMBL577704

FC(F)(F)c1[c]c(-c2ccccc2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KIF11 P52732 1/20 0.36
BTK Q06187 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP2K4 P45985 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
SCHEMBL3627117 0.74 L3MBTL1 (0.35) L3MBTL1ABCC8KCNJ11BTKPOLB
SCHEMBL2766385 0.72 BTK (0.41) L3MBTL1BTKPOLBKDM4ERAB9A
SCHEMBL455592 0.71 AKT2 (0.42) L3MBTL1BTKPOLBKDM4ERAB9A
SCHEMBL458788 0.67 BTK (0.36) L3MBTL1BTKPOLBKDM4ERAB9A
SCHEMBL3645802 0.63 S1PR1 (0.40) L3MBTL1KIF11POLBKMT2AMEN1
SCHEMBL941081 0.63 KIF11 (0.36) L3MBTL1KIF11POLBKDM4ERAB9A
SCHEMBL1279168 0.62 L3MBTL1 (0.56) L3MBTL1POLBKDM4EKMT2AALDH1A1
SCHEMBL4713606 0.62 KDM4E (0.58) L3MBTL1ABCC8KCNJ11POLBKDM4E
SCHEMBL14624000 0.60 RAB9A (0.55) L3MBTL1POLBKDM4ERAB9ASMN1; SMN2
SCHEMBL11642290 0.60 NR1H2 (0.55) L3MBTL1RAB9ASMN1; SMN2CYP1A2HPGD

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 12 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
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-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP 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
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO 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
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed