SCHEMBL13004322

SCHEMBL13004322

N#Cc1cc(-c2nccc(C(=O)O)c2F)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.48
▸ KDM4E B2RXH2 2/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ CTSA P10619 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL14184585 0.89 XDH (0.45) XDH
SCHEMBL13722986 0.84 KDM4E (0.42) XDHKDM4EASPHKDM8RXFP1
SCHEMBL13723419 0.81 KDM4E (0.45) XDHKDM4EASPHKDM8ALDH1A1
SCHEMBL13139799 0.81 XDH (0.46) XDHKDM4EGRM5ALDH1A1HTT
SCHEMBL16313328 0.81 KDM4E (0.40) XDHKDM4EASPHKDM8
SCHEMBL13118031 0.79 KDM4E (0.42) KDM4EASPHKDM8ALDH1A1LMNA
SCHEMBL13004433 0.77 XDH (0.47) XDHKDM4EASPHKDM8
SCHEMBL14384228 0.77 XDH (0.52) XDHKDM4EALDH1A1HTTLMNA
SCHEMBL1329694 0.75 XDH (0.54) XDHKDM4E
SCHEMBL1329554 0.74 XDH (0.53) XDHKDM4E

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-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 — — EP disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 — — EP disclosed
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