SCHEMBL5611249

SCHEMBL5611249

O=C(O)C1=C(c2ccccc2)c2ccc(CBr)cc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.62
FGFR2 P21802 6/20 0.62
FGFR4 P22455 6/20 0.62
FGFR3 P22607 6/20 0.62
SRC P12931 4/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PPARG P37231 4/20 0.46
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
XBP1 P17861 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3572958 0.83 PPARG (0.69) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL4658204 0.80 PPARG (0.64) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL3575957 0.79 FGFR1 (0.70) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL147279 0.78 FGFR1 (1.00) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL4658483 0.74 PPARG (0.73) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL3577919 0.73 PPARG (0.77) FGFR1FGFR2FGFR4FGFR3PPARG
SCHEMBL479017 0.72 NPC1 (0.66) PPARGHSP90AB1ALDH1A1LMNASMN1; SMN2
Isopropylamine SCHEMBL3581231 0.72 FGFR1 (0.63) FGFR1FGFR2FGFR4FGFR3SRC
SCHEMBL6777102 0.72 PTPN1 (0.53) PTPN1FOLH1CES2CES1
SCHEMBL30461149 0.72 FOLH1 (0.71) PTPN1ALDH1A1MEN1KMT2AFOLH1

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-1740531-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-01-10 EP disclosed
WO-2005100303-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed