SCHEMBL2520394

SCHEMBL2520394

CC(Cc1ccccc1)SC(=S)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MGLL Q99685 1/20 0.44
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.39
TRPA1 O75762 1/20 0.39
SLC6A2 P23975 2/20 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
SCHEMBL2770805 0.89 TRPA1 (0.44) NPC1RAB9ASIGMAR1IDO1TRPA1
SCHEMBL21633293 0.84 MAPT (0.42) NPC1RAB9AALDH1A1SIGMAR1MAPT
SCHEMBL2521483 0.73 TAAR1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31561600 0.71 KMT2A (0.61) KMT2AMEN1NPC1RAB9AHSP90AA1
SCHEMBL18508067 0.71 HDAC3 (0.39) NPC1RAB9AHSP90AA1ALDH1A1MAPT
SCHEMBL22204619 0.71 TRPA1 (0.38) NPC1RAB9AHSP90AA1ALDH1A1MAPT
Thiobenzoic Acid SCHEMBL2520397 0.71 KMT2A (0.41) KMT2AMEN1NPC1RAB9AMGLL
SCHEMBL7194545 0.69 HPGD (0.59) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL22642764 0.69 CYP2C19 (0.39) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL2791417 0.69 MAOB (0.36) RAB9AHSP90AA1ALDH1A1MAPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099310-A1 PREPARATION OF HIGH SOLID CONTENT, SURFACTANT-FREE LATEX USING FUNCTIONAL AMPHIPHILIC WATERBORNE MACRO-RAFT AGENT BASF SE (DE) 2023-06-08 WO claimed
US-20080071003-A1 Method for Producing Molecularly Imprinted Polymers UNIVERSITY OF DORTMUND INFU (DE) 2008-03-20 US claimed
EP-1383828-A4 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION BIO LAYER PTY LTD (AU) 2006-10-04 EP claimed
US-6858309-B2 Methods of polymerization POLYMERAT PTY. LTD. (AU) 2005-02-22 US claimed
EP-1383828-A1 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION Polymerat Pty Ltd (AU) 2004-01-28 EP claimed
US-20030088028-A1 Methods of polymerization ANTEO TECHNOLOGIES PTY LTD (AU) 2003-05-08 US claimed
WO-2002079305-A1 A METHOD OF TREATING THE SURFACE OF A SUBSTRATE POLYMER USEFUL FOR GRAFT POLYMERIZATION POLYMERAT PTY LTD (AU) 2002-10-10 WO claimed
WO-2023099310-A1 PREPARATION OF HIGH SOLID CONTENT, SURFACTANT-FREE LATEX USING FUNCTIONAL AMPHIPHILIC WATERBORNE MACRO-RAFT AGENT BASF SE (DE) 2023-06-08 WO disclosed
WO-2023052125-A1 PREPARATION RAFT-MEDIATED SEED IN AQUEOUS PHASE AND EMULSION POLYMERIZATION BY USING RAFT-MEDIATED SEED BASF SE (DE) 2023-04-06 WO disclosed
US-9309329-B2 Method for preparing pH-insensitive surfactant free polymer particle dispersion in aqueous medium ARKEMA INC. (US) 2016-04-12 US disclosed
US-20110251329-A1 METHOD FOR PREPARING pH-INSENSITIVE SURFACTANT FREE POLYMER PARTICLE DISPERSION IN AQUEOUS MEDIUM ARKEMA INC. (US) 2011-10-13 US disclosed
US-20080071003-A1 Method for Producing Molecularly Imprinted Polymers UNIVERSITY OF DORTMUND INFU (DE) 2008-03-20 US disclosed
EP-1781711-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS University of Dortmund Infu (DE) 2007-05-09 EP disclosed
WO-2006004536-A1 METHOD FOR PRODUCING MOLECULARLY IMPRINTED POLYMERS UNIVERSITY OF DORTMUND INFU (DE) 2006-01-12 WO disclosed
US-6858309-B2 Methods of polymerization POLYMERAT PTY. LTD. (AU) 2005-02-22 US disclosed
US-20030088028-A1 Methods of polymerization ANTEO TECHNOLOGIES PTY LTD (AU) 2003-05-08 US disclosed