SCHEMBL2879347

SCHEMBL2879347

O=C(O)c1ccnc(C(=O)O)c1Nc1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.71
ASPH Q12797 11/20 0.52
KDM8 Q8N371 11/20 0.52
MAP2K2 P36507 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CSF1R P07333 1/20 0.42
DHODH Q02127 2/20 0.42
IDO1 P14902 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL2880402 0.83 KDM4E (1.00) KDM4EASPHKDM8ALDH1A1MAPT
SCHEMBL4862994 0.77 MAP2K1 (0.74) MAP2K2MAP2K1ALDH1A1GAAMAPT
SCHEMBL29413601 0.75 MAP2K1 (0.66) KDM4EMAP2K2MAP2K1IDO1
SCHEMBL1488224 0.75 MAP2K1 (0.66) KDM4EMAP2K2MAP2K1IDO1
SCHEMBL15636177 0.74 DHODH (0.71) ALDH1A1GAAMAPTDHODHHTT
SCHEMBL17134619 0.74 MAP2K1 (0.53) MAP2K2MAP2K1ALDH1A1GAAMAPT
SCHEMBL2025895 0.73 MAP2K1 (0.52) KDM4EMAP2K2MAP2K1ALDH1A1GAA
SCHEMBL2021723 0.73 MAP2K1 (0.63) KDM4EMAP2K2MAP2K1IDO1
SCHEMBL2027158 0.73 MAP2K1 (0.63) KDM4EMAP2K2MAP2K1IDO1
SCHEMBL4511303 0.72 GAA (0.52) MAP2K2MAP2K1ALDH1A1GAAMAPT

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