SCHEMBL7101791

SCHEMBL7101791

COc1ccc(-c2c[nH]c(Cc3ccc(O)cc3)n2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.46
KIT P10721 2/20 0.46
KDR P35968 2/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GRK6 P43250 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP19A1 P11511 1/20 0.38
PDGFRA P16234 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15688466 0.76 MEN1 (0.44) MAPTMEN1KMT2AGAAESR1
SCHEMBL7101231 0.75 APP (0.44) MAPK1
SCHEMBL5759195 0.72 HSP90AA1 (0.42) MAPTKDM4ENPC1RAB9ALMNA
SCHEMBL10905978 0.70 ESR1 (0.46) KDM4EGAAESR1ESR2NPC1
SCHEMBL6210283 0.69 LTA4H (0.51) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL15135752 0.69 PDGFRB (0.58) PDGFRBKITKDR
SCHEMBL7389680 0.68 ESR1 (0.48) KDM4EGAAESR1ESR2
SCHEMBL16416060 0.68 MAPT (0.49) PDGFRBKITMAPTKDM4EGRK6
SCHEMBL10133074 0.68 NR1H2 (0.44) GAANPC1RAB9A
SCHEMBL2868952 0.68 NR1H2 (0.45) PDGFRBMAPTKMT2AGAA

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
JP-2003500357-A 2003-01-07 JP claimed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP claimed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 WO claimed