SCHEMBL1701121

SCHEMBL1701121

O=CC(Br)c1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.43
ADRA1A P35348 2/20 0.43
MIF P14174 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 4/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HIF1A Q16665 4/20 0.42
GALR3 O60755 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ADRB2 P07550 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
SCHEMBL15687876 0.79 BACE1 (0.38) ADRA1ALMNACA12CA2CA9
SCHEMBL13628507 0.78 ADRB1 (0.48) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL21495049 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4SLC6A3GAA
SCHEMBL540882 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4SLC6A3GAA
SCHEMBL7305656 0.76 LMNA (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL12648355 0.76 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL1723875 0.76 ESR1 (0.44) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL7192764 0.76 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL7008264 0.76 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL169020 0.76 ACP3 (0.43) LMNAALDH1A1TSHRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4508038-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO The United States Government as represented by the Department of Veterans Affairs (US) 2025-02-19 EP disclosed
WO-2024161371-A1 SUBSTITUTED AZOLES THEIR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ALPHA-1 -ANTITRYPSIN (A1AT) DEFICIENCY GT GAIN THERAPEUTICS SA (CH) 2024-08-08 WO disclosed
WO-2023201374-A1 COMPOSITIONS AND METHODS FOR INHIBITING CARP-1 BINDING TO NEMO THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-10-19 WO disclosed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 EP disclosed
EP-2991983-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
EP-2958897-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2015-12-30 EP disclosed
EP-2917173-A1 INDOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS DNA METHYLATION MODULATORS Ikerchem, S.L. (ES) 2015-09-16 EP disclosed
WO-2009070516-A1 IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-06-04 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-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed