SCHEMBL5320723

SCHEMBL5320723

O=C(O)CON=C1CN(C(=O)O)Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ALOX15 P16050 1/20 0.34
LMNA P02545 4/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CD69 Q07108 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5320718 1.00 MAPK8 (0.40) MAPK8MAPK9MAPK10ALOX15LMNA
SCHEMBL5317820 0.86 NPC1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL5317825 0.86 NPC1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4863074 0.86 MAPK1 (0.39) MAPK8MAPK9MAPK10LMNAHPGD
SCHEMBL14196714 0.86 MAPK1 (0.39) MAPK8MAPK9MAPK10LMNAHPGD
SCHEMBL5321196 0.84 CYP3A4 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL5321199 0.84 CYP3A4 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL5320440 0.83 NPSR1 (0.40) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL14425277 0.73 MAPK1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4856100 0.73 MAPK1 (0.38) MEN1KMT2A

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
EP-1537117-B1 BENZOTRIAZABICYCLIC DERIVATIVES AND USE THEREOF AS BETA-LACTAMASE INHIBITORS AND ANTI-BACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2007-01-17 EP disclosed