SCHEMBL7126366

SCHEMBL7126366

O=Cc1ccc(COc2ccc(F)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 7/20 0.40
APP P05067 1/20 0.40
FFAR1 O14842 1/20 0.40
MAOA P21397 1/20 0.40
NR4A2 P43354 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ENPP2 Q13822 1/20 0.39
DAO P14920 2/20 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
SCHEMBL6828965 0.84 MAOB (0.40) MAOBAPPFFAR1MAOANPC1
SCHEMBL6829285 0.83 MAOB (0.44) L3MBTL1MAPTMAOBRAB9AKMT2A
SCHEMBL6920177 0.83 NPC1 (0.40) MAOBMAOANPC1RAB9A
SCHEMBL7130916 0.79 MAPT (0.39) L3MBTL1MAPTALDH1A1
SCHEMBL7134471 0.77 DAO (0.43) L3MBTL1MAPTMAOBMAOANPC1
SCHEMBL1680352 0.76 ALOX5 (0.42) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7131180 0.73 MAOB (0.51) L3MBTL1MAOBFFAR1MAOANPC1
SCHEMBL6828913 0.73 MAOB (0.49) MAPTMAOBAPPNPC1RAB9A
SCHEMBL6923233 0.72 ADRA1D (0.45) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9900205 0.72 ADRA1D (0.43) MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004037808-A1 2 - SUBSTITUTED HETEROCYCLIC COMPOUNDS AND ANTITUMOR COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-05-06 WO disclosed