SCHEMBL1831608

SCHEMBL1831608

CCOC(=O)Oc1csc(Br)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CUL4A Q13619 1/20 0.38
ALOX5 P09917 1/20 0.37
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5230966 0.85 SMN1; SMN2 (0.43) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL4611278 0.82 ALDH1A1 (0.56) MAPTNPC1RAB9APKMALDH1A1
SCHEMBL1493531 0.77 KMT2A (0.38) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL27770260 0.77 HDAC3 (0.37) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL27635816 0.77 ALDH1A1 (0.36) MAPTNPC1RAB9APOLBPKM
SCHEMBL252583 0.74 HDAC3 (0.38) TSHR
SCHEMBL13822801 0.74 TRPV4 (0.47) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL23166458 0.73 HDAC3 (0.37) MEN1KMT2ALMNA
SCHEMBL285573 0.72 RAB9A (0.66) MAPTNPC1RAB9APOLBPKM
SCHEMBL3146115 0.72 BAZ2A (0.47) MAPTPOLBNPSR1ALDH1A1MEN1

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
EP-2240457-B1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AG (DE) 2011-05-11 EP disclosed
EP-2240457-A1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
WO-2009074247-A1 NOVEL 2-ARYL-THIAZOLE-4-CARBOXAMIDE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
EP-2070916-A1 2-Arylthiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO disclosed
EP-0934311-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998016507-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed
EP-0187618-A1 Piperazine derivatives, process for their preparation and their use SANDOZ AG (CH) 1986-07-16 EP disclosed