SCHEMBL27604334

SCHEMBL27604334

O=C(OC(=O)C(F)(F)F)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL896787 0.82 CES2 (0.62) KMT2ACES2CES1SMN1; SMN2PKM
SCHEMBL28278771 0.79 KMT2A (0.58) KMT2ACES2CES1SMN1; SMN2PKM
SCHEMBL28462172 0.78 KMT2A (0.53) KMT2ACES2CES1SMN1; SMN2PKM
SCHEMBL28297982 0.76 KMT2A (0.55) KMT2ACES2CES1PKMALDH1A1
SCHEMBL584513 0.76 KMT2A (0.56) KMT2ACES2CES1SMN1; SMN2ALDH1A1
SCHEMBL28576891 0.75 KMT2A (0.50) KMT2ACES2CES1PKMALDH1A1
SCHEMBL7073482 0.75 CES1 (0.58) KMT2ACES2CES1SMN1; SMN2PKM
SCHEMBL2201261 0.74 CES2 (0.62) KMT2ACES2CES1SMN1; SMN2PKM
Potassium Ion SCHEMBL28875571 0.74 KMT2A (0.53) KMT2ACES2CES1SMN1; SMN2PKM
SCHEMBL28275168 0.74 KMT2A (0.53) KMT2ACES2CES1ALDH1A1HSD17B10

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
CN-100469778-C Novel fused imidazole derivatives EISAI R&D MAN CO LTD (JP) 2009-03-18 CN disclosed
CN-100348599-C Novel fused imidazole derivatives EISAI CO LTD (JP) 2007-11-14 CN disclosed
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 CN disclosed
CN-1675208-A Novel fused imidazole derivatives EISAI CO LTD (JP) 2005-09-28 CN disclosed