SCHEMBL692971

SCHEMBL692971

CC(C)c1[c]ccc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
PARP1 P09874 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
GNRHR P30968 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
SCHEMBL18379251 0.72 MEN1 (0.58) MAPTMEN1KMT2AGAAPOLB
SCHEMBL2909240 0.71 PARP1 (0.58) MAPTMEN1KMT2AGAAPOLB
SCHEMBL8598047 0.66 GAA (0.63) MAPTMEN1KMT2AGAAPOLB
SCHEMBL5446036 0.66
SCHEMBL695174 0.65 NPSR1 (0.40) MAPTMEN1KMT2AGAAPOLB
SCHEMBL29176006 0.64 MAPT (0.51) MAPTMEN1KMT2AGAAPOLB
SCHEMBL15740571 0.64 HSD17B10 (0.42) MAPTMEN1KMT2AGAAPOLB
SCHEMBL3118977 0.64 PDE4B (0.39) MAPTMEN1KMT2AGAAPOLB
SCHEMBL11835594 0.64 MEN1 (0.64) MAPTMEN1KMT2AGAAPOLB
SCHEMBL15579814 0.64 MAPT (0.47) MAPTMEN1KMT2AGAAPOLB

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-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed