SCHEMBL7206668

SCHEMBL7206668

O=C(C(=O)c1ccnc(Oc2ccccc2)n1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK8 P45983 1/20 0.43
CES1 P23141 2/20 0.42
CES2 O00748 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 7/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7205226 0.81 CES1 (0.47) MAPTRAB9ACES1CES2L3MBTL1
SCHEMBL4857310 0.78 MAPK8 (0.56) MAPK8L3MBTL1KMT2ATSHRMEN1
SCHEMBL4850980 0.76 MAPK8 (0.50) MAPTRAB9AMAPK8KMT2AALDH1A1
SCHEMBL24512733 0.74 MAPT (0.47) MAPTRAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL4859054 0.73 TDP1 (0.51) MAPTRAB9AMAPK8ALDH1A1CYP1A2
SCHEMBL8456373 0.73 MAPK8 (0.48) MAPTMAPK8KMT2AALDH1A1CYP1A2
SCHEMBL10020220 0.73 CES1 (0.52) RAB9ACES1CES2KMT2AALDH1A1
SCHEMBL7469883 0.70 MAPK8 (0.46) MAPTRAB9AMAPK8L3MBTL1MAPK14
SCHEMBL5771051 0.70 CES1 (0.47) MAPTCES1CES2L3MBTL1MAPK14
SCHEMBL14747021 0.69 MAPK8 (0.42) MAPTRAB9AMAPK8MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-0994870-A4 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM (US) 2002-10-23 EP disclosed
EP-0994870-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS Smithkline Beecham (US) 2000-04-26 EP disclosed
WO-1998057966-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 WO disclosed