SCHEMBL7130916

SCHEMBL7130916

O=Cc1ccc(COc2c(F)c(F)c(F)c(F)c2F)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
DPP4 P27487 1/20 0.30

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
SCHEMBL7126366 0.79 L3MBTL1 (0.43) MAPTL3MBTL1ALDH1A1
SCHEMBL6920177 0.75 NPC1 (0.40) TDP1
SCHEMBL9900205 0.73 ADRA1D (0.43) MAPTPOLBALDH1A1ADRA1DADRA1A
SCHEMBL6828965 0.72 MAOB (0.40) TDP1ALDH1A1
SCHEMBL6829285 0.72 MAOB (0.44) MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL16901841 0.70 DPP4 (0.45) MAPTALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL30762026 0.70
SCHEMBL8185448 0.70
SCHEMBL6923233 0.70 ADRA1D (0.45) MAPTTDP1L3MBTL1TSHRALDH1A1
SCHEMBL29020313 0.69 ALDH1A1 (0.44) MAPTPOLBALDH1A1ADRA1DADRA1A

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