SCHEMBL7494376

SCHEMBL7494376

Cc1ccc([N+](=O)[O-])c(S)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
CYP3A4 P08684 2/20 0.67
GPR35 Q9HC97 1/20 0.45
ACHE P22303 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KAT2B Q92831 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6523809 0.83 TSHR (0.67) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL6517417 0.82 TSHR (0.64) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL6513018 0.82 TSHR (0.64) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL6517426 0.82 TSHR (0.64) TSHRCYP3A4GPR35ACHEHSD17B10
Zinc Ion SCHEMBL6513024 0.82 TSHR (0.64) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL6517423 0.82 TSHR (0.64) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL557939 0.78 TSHR (0.72) TSHRCYP3A4GPR35ACHEHSD17B10
M-Xylene SCHEMBL28888661 0.77 TDP1 (0.52) TSHRCYP3A4GPR35ACHEHSD17B10
SCHEMBL3074528 0.77 GPR35 (0.59) TSHRCYP3A4GPR35HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265224-B Method for preparing 4-trifluoromethylmercaptoaniline JINTAN LINGYUN CHEMICAL FACTORY 2010-12-08 CN disclosed
EP-1224169-A2 PRODUCTION OF 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027080-A2 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
EP-0039312-B1 COLOUR PHOTOPGRAPHIC MATERIAL FOR THE SILVER-DYE BLEACHING PROCESS, PROCESS FOR THE PRODUCTION OF THIS MATERIAL AND ITS USE IN THE PRODUCTION OF PHOTOGRAPHIC IMAGES CIBA-GEIGY AG (CH) 1983-12-28 EP disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 EP disclosed