SCHEMBL2928276

SCHEMBL2928276

O=C(c1ccccc1)C(c1ccccc1F)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
HIF1A Q16665 2/20 0.47
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC4 P56524 5/20 0.43
PTPN1 P18031 1/20 0.41
MDM2 Q00987 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 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
SCHEMBL2927883 0.91 L3MBTL1 (0.66) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL16807285 0.82 L3MBTL1 (0.46) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL11000200 0.81 CES2 (0.50) CES2CES1HIF1AGAACNR2
SCHEMBL11750001 0.81 CES2 (0.47) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL19926179 0.77 CES2 (0.44) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL29874823 0.77 CES2 (0.44) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL10779187 0.77 LMNA (0.51) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL7589814 0.76 TDP1 (0.55) TDP1L3MBTL1CES2CES1GAA
SCHEMBL29110200 0.75 KMT2A (0.49) TDP1L3MBTL1CES2CES1HIF1A
SCHEMBL29831763 0.75 HIF1A (0.43) TDP1L3MBTL1CES2CES1HIF1A

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
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed