SCHEMBL10464797

SCHEMBL10464797

O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 8/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
KDM4A O75164 3/20 0.50
EGLN1 Q9GZT9 2/20 0.50
RAB9A P51151 1/20 0.50
HIF1AN Q9NWT6 1/20 0.50
KDM4C Q9H3R0 3/20 0.47
KDM5A P29375 1/20 0.47
PSMD14 O00487 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM6B O15054 2/20 0.46
KDM4D Q6B0I6 2/20 0.46
KDM6A O15550 1/20 0.46
TET3 O43151 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
TET2 Q6N021 1/20 0.46

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
SCHEMBL11684719 0.88 CYP1A2 (0.50) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL28512682 0.86 KDM4E (0.57) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL30503372 0.80 KDM4E (0.45) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL10465596 0.79 KDM4E (0.44) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL10465996 0.79 KDM4E (0.44) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL29841881 0.78 KDM4E (0.50) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL10466404 0.78 KDM4E (0.47) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL24317845 0.76 KDM4E (0.47) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL29502985 0.76 KDM4E (0.49) CYP1A2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL30530504 0.76 KDM4E (0.47) CYP1A2KDM4EL3MBTL1KDM4AEGLN1

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
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed