SCHEMBL6689599

SCHEMBL6689599

NC(=S)OCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.54
AGXT P21549 2/20 0.54
MAOB P27338 4/20 0.44
MMP2 P08253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MEN1 O00255 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
Ethane SCHEMBL27605192 0.89 IDO1 (0.44) IDO1AGXTMAOBMMP2L3MBTL1
SCHEMBL28672093 0.83 IDO1 (0.54) IDO1L3MBTL1CYP2C19ALDH1A1HTR3A
SCHEMBL11231967 0.81 IDO1 (0.50) IDO1AGXTMAOBMMP2L3MBTL1
SCHEMBL11626500 0.81 IDO1 (0.50) IDO1AGXTMAOBMMP2L3MBTL1
Ethoxycarbonyl Group SCHEMBL11688038 0.81 KMT2A (0.38) IDO1AGXTMMP2L3MBTL1CYP2C9
Hydrochloric Acid SCHEMBL11626505 0.79 IDO1 (0.52) IDO1AGXTMAOBMMP2L3MBTL1
SCHEMBL113937 0.79 IDO1 (0.54) IDO1AGXTMAOBMMP2L3MBTL1
SCHEMBL3367103 0.78 CA12 (0.61) IDO1AGXTL3MBTL1ALDH1A1KMT2A
SCHEMBL702199 0.78 CA12 (0.61) IDO1AGXTL3MBTL1ALDH1A1KMT2A
SCHEMBL11602600 0.78 CA1 (0.60) IDO1AGXTMAOBMMP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101584333-B Herbicides with acylated aminophenylsulfonyl urea BAYER CROPSCIENCE AG 2014-04-16 CN disclosed
CN-101584333-A Herbicides with acylated aminophenylsulfonyl urea BAYER CROPSCIENCE GMBH (DE) 2009-11-25 CN disclosed
CN-100518511-C Herbicidal compositions containing acylated aminophenylsulfonylureas AVENTIES CROP SCIENCES GMBH (DE) 2009-07-29 CN disclosed
WO-2004080938-A1 SYNTHESIS OF S-ALKYL AND S-ARYL THIOCARBAMATES, ONE-POT TWO-STEP GENERAL SYNTHESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2004-09-23 WO disclosed
US-6686494-B1 PRECURSOR THIOL REAGENT IS FIRST REACTED WITH TRICHLOROACETYL CHLORIDE TO PRODUCE S-ALKYL OR S-ARYL TRICHLOROACETYL THIOESTER INTERMEDIATE, WHICH IS REACTED WITH AN AMINE TO YIELD THIOCARBAMATE PRODUCT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-02-03 US disclosed