SCHEMBL8599336

SCHEMBL8599336

NC(=S)CC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.70
MAPT P10636 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
HPGD P15428 2/20 0.70
MAPK1 P28482 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALOX15 P16050 1/20 0.70
CES1 P23141 1/20 0.70
PTPN1 P18031 2/20 0.59
ERCC5 P28715 2/20 0.59
FEN1 P39748 2/20 0.59
ALDH1A1 P00352 4/20 0.55
CYP2C19 P33261 2/20 0.55
HIF1A Q16665 2/20 0.55
PLOD2 O00469 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55

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
SCHEMBL1200893 0.84 CYP3A4 (0.73) CYP3A4MAPTTDP1KMT2AMEN1
SCHEMBL1271165 0.84 KMT2A (0.73) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL10356288 0.83 MEN1 (1.00) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL1704711 0.83 MEN1 (1.00) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL39582 0.83 MEN1 (1.00) CYP3A4MAPTTDP1KMT2AMEN1
SCHEMBL7043064 0.83 NR4A2 (0.63) CYP3A4MAPTTDP1KMT2AMEN1
SCHEMBL25667317 0.82 KMT2A (0.70) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL1628627 0.80 MEN1 (0.94) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL6249492 0.80 MEN1 (0.94) CYP3A4MAPTTDP1KMT2AMEN1
Dibenzoylmethane SCHEMBL531257 0.80 MEN1 (0.94) CYP3A4MAPTTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548680-B1 Beta-oxo-beta-benzenepropanethioamide derivatives MITSUBISHI CHEM CORP (JP) 1998-02-25 EP claimed
US-5332833-A Potassium channel modulator, hypotensive, hypersensitive colon syndrome, asthma, enteritis MITSUBISHI KASEI CORPORATION (JP) 1994-07-26 US claimed
EP-0548680-A1 Beta-oxo-beta-benzenepropanethioamide derivatives Mitsubishi Chemical Corporation (JP) 1993-06-30 EP claimed
EP-0548680-B1 Beta-oxo-beta-benzenepropanethioamide derivatives MITSUBISHI CHEM CORP (JP) 1998-02-25 EP disclosed
EP-0548680-B1 Beta-oxo-beta-benzenepropanethioamide derivatives MITSUBISHI CHEM CORP (JP) 1998-02-25 EP disclosed
US-5677444-A Method for the preparation of β-ketothioamide compound JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1997-10-14 US disclosed
WO-1996022086-A1 MEDICINE CONTAINING β-OXO-β-BENZENEPROPANE-THIOAMIDE DERIVATIVE MITSUBISHI CHEMICAL CORPORATION (JP) 1996-07-25 WO disclosed
US-5439927-A For potassium channel opening, hypotensive agents, broncho- or vasodilators, gastrointestinal disorders MITSUBISHI KASEI CORPORATION (JP) 1995-08-08 US disclosed
US-5439927-A For potassium channel opening, hypotensive agents, broncho- or vasodilators, gastrointestinal disorders MITSUBISHI KASEI CORPORATION (JP) 1995-08-08 US disclosed
US-5332833-A Potassium channel modulator, hypotensive, hypersensitive colon syndrome, asthma, enteritis MITSUBISHI KASEI CORPORATION (JP) 1994-07-26 US disclosed
US-5332833-A Potassium channel modulator, hypotensive, hypersensitive colon syndrome, asthma, enteritis MITSUBISHI KASEI CORPORATION (JP) 1994-07-26 US disclosed
US-5332833-A Potassium channel modulator, hypotensive, hypersensitive colon syndrome, asthma, enteritis MITSUBISHI KASEI CORPORATION (JP) 1994-07-26 US disclosed
EP-0548680-A1 Beta-oxo-beta-benzenepropanethioamide derivatives Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed
EP-0548680-A1 Beta-oxo-beta-benzenepropanethioamide derivatives Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed
EP-0548680-A1 Beta-oxo-beta-benzenepropanethioamide derivatives Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed
EP-0314026-B1 PARTICLE AGENT FOR THE SELECTIVE REMOVAL OF METAL CATIONS FROM AQUEOUS SOLUTIONS, PROCESS FOR ITS PRODUCTION AND ITS USE Solvay Umweltchemie GmbH (DE) 1992-12-23 EP disclosed
US-5015448-A Particulate material suitable for selectively separating metal cations from aqueous solutions, process for its production, and use thereof GUTEC GESELLSCHAFT ZUR ENTWICKLUNG VON UMWELTSCHUTZTECHNOLOGIE MBH (DE) 1991-05-14 US disclosed
EP-0314026-A1 Particle agent for the selective removal of metal cations from aqueous solutions, process for its production and its use Solvay Umweltchemie GmbH (DE) 1989-05-03 EP disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 US disclosed
US-3931269-A ANTIINFLAMMATORY WILLIAM H. RORER, INC. (US) 1976-01-06 US disclosed