SCHEMBL696499

SCHEMBL696499

Cc1csc(COc2ccc(Cl)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
BCHE P06276 1/20 0.47
PPARD Q03181 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1574830 0.78 MAPT (1.00) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL21313808 0.78 MAPT (0.76) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL29468769 0.77 L3MBTL1 (0.51) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL12267538 0.77 MAPT (0.43) MAPTNPC1RAB9ABCHEHSP90AA1
SCHEMBL693955 0.76 MAPT (0.51) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL11703618 0.76 MAPT (0.78) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL14366876 0.75 MAPT (0.47) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL28758405 0.75 MAPT (0.49) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL27299484 0.73 RAB9A (0.46) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL3556746 0.73 MAPT (0.72) MAPTNPC1RAB9ABCHEPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed