SCHEMBL1701431

SCHEMBL1701431

O=CC(Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 1/20 0.53
ACP3 P15309 1/20 0.49
ALDH1A1 P00352 3/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
NFE2L2 Q16236 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 1/20 0.44
FBP1 P09467 1/20 0.44
VCP P55072 1/20 0.44
CYP19A1 P11511 1/20 0.44
HTT P42858 2/20 0.43
GAA P10253 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
SCHEMBL384083 0.82 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL11432821 0.82 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL5738475 0.79 ALDH1A1 (0.49) TSHRLMNAALDH1A1MAPTNFE2L2
SCHEMBL2015079 0.79 TSHR (0.53) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL11797282 0.79 TSHR (0.53) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2880922 0.79 TSHR (0.53) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL27546831 0.79 TSHR (0.48) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL29646530 0.79 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2540712 0.79 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2333356 0.79 TSHR (0.57) TSHRLMNAACP3ALDH1A1ACHE

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164572-A1 SUBSTITUTED 4-ARYLTHIAZOLES AND PROCESS OF PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-06 WO claimed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
EP-3852736-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020061117-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2018129556-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2018-07-12 WO disclosed
EP-3325452-A1 SUBSTITUTED HYDROPHOBIC BENZENE SULFONAMIDE THIAZOLE COMPOUNDS FOR USE IN TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2018-05-30 EP disclosed
WO-2017017004-A1 SUBSTITUTED HYDROPHOBIC BENZENE SULFONAMIDE THIAZOLE COMPOUNDS FOR USE IN TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-02 WO disclosed
EP-3097082-A2 PROCESSES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2016-11-30 EP disclosed
WO-2006079642-A1 ANTHELMINTIC IMIDAZOL-THIAZOLE DERIVATES JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 WO disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
EP-1381363-A1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-21 EP disclosed
WO-2003105842-A1 DERIVATIVES OF CHROMEN-2-ONE AS INHIBITORS OF VEGF PRODUCTION IN MAMMALIAN CELLS NOVUSPHARMA S.P.A. (IT) 2003-12-24 WO disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
WO-2002092086-A1 IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed