SCHEMBL6822173

SCHEMBL6822173

O=C(Cl)/C=C/c1cc(Cl)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
BACE1 P56817 1/20 0.34
KDM1A O60341 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM1B Q8NB78 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
GPR183 P32249 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32

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
SCHEMBL6822176 1.00 MIF (0.39) MIFBACE1KDM1AALDH1A1KDM1B
SCHEMBL6818532 0.85 MIF (0.54) MIFKDM4EMAPT
SCHEMBL6818529 0.85 MIF (0.54) MIFKDM4EMAPT
Hydrochloric Acid SCHEMBL6822179 0.84 MIF (0.53) MIFKDM4EMAPT
SCHEMBL6821788 0.80 ALDH1A1 (0.46) KDM1AALDH1A1MEN1KMT2AHPGD
SCHEMBL6821789 0.80 ALDH1A1 (0.46) KDM1AALDH1A1MEN1KMT2AHPGD
SCHEMBL4929765 0.79 MIF (0.56) MIFKDM4EMAPT
SCHEMBL4929762 0.79 MIF (0.56) MIFKDM4EMAPT
SCHEMBL22046677 0.76 HDAC3 (0.50) MIFALDH1A1MEN1KMT2AGPR183
SCHEMBL30310600 0.76 HDAC3 (0.50) MIFALDH1A1MEN1KMT2AGPR183

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed