SCHEMBL8129355

SCHEMBL8129355

CC(=O)OCCCCc1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
FAAH O00519 4/20 0.40
HSD17B10 Q99714 2/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8128132 0.83 MAPK14 (0.50) MAPK14HSD17B10ALDH1A1MAPK13MAPK12
SCHEMBL8102854 0.83 MAPK14 (0.47) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL21466389 0.80 FAAH (0.50) MAPK14FAAHALDH1A1MAPK13MAPK12
SCHEMBL16573709 0.78 MAPK14 (0.47) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL16573706 0.76 MAPK14 (0.41) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL8098012 0.76 MAPK14 (0.41) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL7144420 0.73 MAPK14 (0.58) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL5903491 0.71 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7144416 0.71 MAPK14 (0.75) MAPK14FAAHMAPK13MAPK12MAPK11
SCHEMBL7162537 0.71 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11

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-0994858-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-04-26 EP claimed
WO-1999003837-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-01-28 WO claimed