SCHEMBL8310271

SCHEMBL8310271

CCOC(=O)n1c(-c2ccc(Oc3ccccc3)cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.49
SCN9A Q15858 2/20 0.47
ALOX5 P09917 2/20 0.46
TNK2 Q07912 1/20 0.44
DHODH Q02127 1/20 0.44
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
GCGR P47871 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8309777 1.00 MAPK14 (0.49) MAPK14SCN9AALOX5TNK2DHODH
SCHEMBL8390603 0.88 TNK2 (0.46) MAPK14ALOX5TNK2DHODHMAPK13
SCHEMBL8387347 0.88 TNK2 (0.46) MAPK14ALOX5TNK2DHODHMAPK13
SCHEMBL27793218 0.72 MAPK14 (0.48) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL6640913 0.71 MAPK14 (0.60) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL3306458 0.71 MAPK14 (0.44) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL9880602 0.70 PARP1 (0.47) NPSR1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11478157 0.69 NPSR1 (0.46) MAPK14NPSR1MEN1KMT2AL3MBTL1
SCHEMBL11477712 0.69 NPSR1 (0.46) MAPK14NPSR1MEN1KMT2AL3MBTL1
SCHEMBL16573706 0.69 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GCGR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948257-A4 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-12-29 EP claimed
EP-0948257-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1999-10-13 EP claimed
WO-1998021957-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0948257-A4 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-12-29 EP disclosed
EP-0948257-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1999-10-13 EP disclosed
WO-1998021957-A1 TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO disclosed