SCHEMBL2586688

SCHEMBL2586688

O=C(Cl)CCSC(=S)SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2C19 P33261 1/20 0.45
IDO1 P14902 8/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOS3 P29474 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
SCHEMBL237595 0.87 CYP2C19 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2586689 0.85 CYP2C19 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL161188 0.80 CA12 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29101443 0.79 CYP2C19 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4050426 0.78 CYP2C19 (0.72) CYP2C19IDO1ALDH1A1HPGD
SCHEMBL236444 0.78 CA12 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8514707 0.76 CA12 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16552821 0.76 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29250794 0.76 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16978768 0.75 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203639-A1 POLYTHIOPHENE STAR COPOLYMER CAPABLE OF BEING SELF-DOPED BY EXTERNAL STIMULUS, A METHOD FOR PRODUCING THE SAME, A CONDUCTIVE THIN FILM USING THE SAME, AND A METHOD FOR PRODUCING THE CONDUCTIVE THIN FILM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-07-23 US claimed
CN-112759881-A Porous alumina modified polystyrene and preparation method thereof 赵书敏 2021-05-07 CN disclosed
CN-112210051-A Antibacterial polypropylene material containing phosphonium salt and organic tin and preparation method thereof 彭军文 2021-01-12 CN disclosed
CN-112175151-A Antibacterial polystyrene material and preparation method thereof 邓天生 2021-01-05 CN disclosed
CN-112160074-A Rigid super-hydrophobic polyvinyl chloride film and preparation method thereof 曾小华 2021-01-01 CN disclosed
CN-112142929-A Antibacterial polyethylene material and preparation method thereof 邓天生 2020-12-29 CN disclosed
CN-112111125-A Hydrophobic antibacterial polybutadiene block copolymer material and preparation method thereof 邓万菁 2020-12-22 CN disclosed
US-9908979-B2 Polythiophene star copolymer capable of being self-doped by external stimulus, a method for producing the same, a conductive thin film using the same, and a method for producing the conductive thin film KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-03-06 US disclosed
US-20150203639-A1 POLYTHIOPHENE STAR COPOLYMER CAPABLE OF BEING SELF-DOPED BY EXTERNAL STIMULUS, A METHOD FOR PRODUCING THE SAME, A CONDUCTIVE THIN FILM USING THE SAME, AND A METHOD FOR PRODUCING THE CONDUCTIVE THIN FILM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-07-23 US disclosed
US-8544658-B2 Functionalized thin film polyamide membranes POLYMERS CRC LIMITED (AU) 2013-10-01 US disclosed
EP-2313184-B1 FUNCTIONALIZED THIN FILM POLYAMIDE MEMBRANES POLYMERS CRC LTD (AU) 2012-10-10 EP disclosed
US-8211996-B2 Well-defined donor-acceptor rod-coil diblock copolymer based on P3HT containing C60 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-03 US disclosed
US-20110288241-A1 DONOR-ACCEPTOR ROD-COIL DIBLOCK COPOLYMER FOR ORGANIC SOLAR CELLS AND SYNTHESIS METHOD THEREOF UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) 2011-11-24 US disclosed
US-20110189469-A1 FUNCTIONALIZED THIN FILM POLYAMIDE MEMBRANES POLYMERS CRC LIMITED (AU) 2011-08-04 US disclosed
US-20110189469-A1 FUNCTIONALIZED THIN FILM POLYAMIDE MEMBRANES POLYMERS CRC LIMITED (AU) 2011-08-04 US disclosed
US-20100137518-A1 Well-defined donor-acceptor rod-coil diblock copolymer based on P3HT containing C60 REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2010-06-03 US disclosed
WO-2010015599-A1 FUNCTIONALIZED THIN FILM POLYAMIDE MEMBRANES POLYMERS CRC LIMITED (AU) 2010-02-11 WO disclosed
US-20080319131-A1 Electrically Conductive Polymers and Raft Polymerization CARNEGIE MELLON UNIVERSITY 2008-12-25 US disclosed
EP-1946333-A2 ELECTRICALLY CONDUCTIVE BLOCKCOPOLYMERS AND CONTROLLED RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 2008-07-23 EP disclosed
WO-2007025189-A2 ELECTRICALLY CONDUCTIVE BLOCKCOPOLYMERS AND CONTROLLED RADICAL POLYMERIZATION CARNEGIE MELLON UNIVERSITY (US) 2007-03-01 WO disclosed