SCHEMBL694856

SCHEMBL694856

Cc1[c]ccc2[nH]nc(-c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TTK P33981 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MAPK10 P53779 2/20 0.47
GAA P10253 2/20 0.47
ALPL P05186 1/20 0.47
IDO1 P14902 1/20 0.47
MAP2K4 P45985 4/20 0.44
MAPK1 P28482 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
MAPK6 Q16659 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
DCLK1 O15075 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL694532 0.84 MAP2K4 (0.42) ALDH1A1ALPLMAP2K4MAPK1MAPKAPK2
SCHEMBL695846 0.83 MAP2K4 (0.41) TTKGAAIDO1MAP2K4MAPK1
SCHEMBL4276728 0.74 AKT2 (0.42) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL5868327 0.73 PDPK1 (0.44) KDM4EGAAPRKD3MAP4K4CSF1R
SCHEMBL4274636 0.71 MAP2K4 (0.48) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL3020582 0.68 TTK (0.56) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL3661465 0.68 TTK (0.56) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL1997257 0.68 TTK (0.56) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL694496 0.68 ALDH1A1 (0.61) ALDH1A1TTKKDM4EHPGDMAPK10
SCHEMBL27968541 0.68 TTK (0.56) ALDH1A1TTKKDM4EHPGDMAPK10

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-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-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