SCHEMBL5151126

SCHEMBL5151126

c1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.69
MTOR P42345 1/20 0.69
ADK P55263 1/20 0.69
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LTA4H P09960 5/20 0.49
NPC1 O15118 1/20 0.49
SCN4A P35499 1/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CHEK2 O96017 3/20 0.46
RIPK1 Q13546 1/20 0.44
PDE3B Q13370 1/20 0.44

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
SCHEMBL1386454 0.84 CYP1A2 (0.55) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL22530455 0.84 CYP3A4 (0.55) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL7313533 0.83 CYP1A2 (0.54) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL5148367 0.83 NISCH (0.91) NISCHMTORADKCYP1A2CYP3A4
2-Phenylimidazole SCHEMBL9719773 0.82 NISCH (1.00) NISCHMTORADKCYP1A2CYP3A4
2-Phenylimidazole SCHEMBL8901 0.82 NISCH (1.00) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL17280261 0.82 NISCH (0.59) NISCHMTORADKCYP1A2CYP3A4
SCHEMBL16418303 0.81 LTA4H (0.57) NISCHMTORADKCYP1A2CYP3A4
2-Phenylimidazole SCHEMBL8898735 0.81 NISCH (0.95) NISCHMTORADKCYP1A2CYP3A4
2-Phenylimidazole SCHEMBL1954238 0.81 NISCH (0.95) NISCHMTORADKCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128452-B Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA 2012-11-21 CN claimed
CN-101128452-A Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2008-02-20 CN claimed
EP-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP claimed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 WO claimed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
CN-101128452-A Novel benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2008-02-20 CN disclosed
CN-1147492-C New metal protease inhibitors, its preparing method and their medicinal composition containing them ɪά��ʵ���� 2004-04-28 CN disclosed
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN disclosed
US-4031233-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-06-21 US disclosed