SCHEMBL7805607

SCHEMBL7805607

CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 1/20 0.42
BRDT Q58F21 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7819165 0.91 MAPK14 (0.52) MAPK14MAPTL3MBTL1BRD4BRDT
SCHEMBL7833879 0.85 MAPK14 (0.45) MAPK14MAPTL3MBTL1
SCHEMBL6947871 0.83 MAPK14 (0.45) MAPK14MAPTL3MBTL1
SCHEMBL6955198 0.83 MAPK14 (0.45) MAPK14MAPTL3MBTL1
SCHEMBL7822968 0.80 MAPK14 (0.48) MAPK14MAPTL3MBTL1BRD4BRDT
SCHEMBL8120061 0.80 MAPK14 (0.55) MAPK14MAPTL3MBTL1BRD4BRDT
SCHEMBL4584929 0.80 MAPK14 (0.56) MAPK14MAPTL3MBTL1
SCHEMBL7078139 0.79 MAPT (0.57) MAPK14MAPTL3MBTL1BRD4BRDT
SCHEMBL7486308 0.79 EIF2AK2 (0.52) MAPK14KDM4E
SCHEMBL7823149 0.79 MAPK14 (0.47) MAPK14MAPTL3MBTL1BRD4BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
EP-0996446-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-03 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed
WO-1999001131-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed