SCHEMBL2880402

SCHEMBL2880402

O=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ASPH Q12797 11/20 0.64
KDM8 Q8N371 11/20 0.64
MAPK8 P45983 1/20 0.54
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
AURKA O14965 2/20 0.46
MAPK10 P53779 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CXCL8 P10145 1/20 0.42

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
SCHEMBL2879347 0.83 KDM4E (0.71) KDM4EASPHKDM8MAPTHTT
SCHEMBL2875066 0.80 KDM4E (0.66) KDM4EASPHKDM8MAPK8MAPT
SCHEMBL2877327 0.79 KDM4E (1.00) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL2875877 0.79 KDM4E (1.00) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28289321 0.79 KDM4E (0.64) KDM4EMAPK8MAPTHTTCYP3A4
SCHEMBL29908900 0.76 MAP2K1 (0.65) KDM4EMAPK8MAPTHTTCXCL8
SCHEMBL16571766 0.76 MAP2K1 (0.65) KDM4EMAPK8MAPTHTTCXCL8
SCHEMBL9128060 0.74 KDM4E (0.58) KDM4EMAPK8MAPTHTTAURKA
SCHEMBL9471929 0.74 HTT (0.76) KDM4EMAPK8MAPTHTTALDH1A1
SCHEMBL4256425 0.73 FABP4 (0.65) KDM4EMAPK8MAPTCYP3A4CXCL8

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-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed