SCHEMBL8020136

SCHEMBL8020136

OP(=S)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR2B P41595 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS2R38 P59533 3/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6831562 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRTDP1NPSR1
SCHEMBL3081162 0.78 ESR1 (0.46) ESR1ESR2CA2CA4CA5A
SCHEMBL30443421 0.76 ALDH1A1 (0.43) ESR1ESR2ALDH1A1HSD17B10TSHR
SCHEMBL8631208 0.74 NPSR1 (0.46) ALDH1A1HSD17B10TSHRTDP1NPSR1
SCHEMBL6832574 0.74 NPSR1 (0.41) ALDH1A1HSD17B10TSHRTDP1NPSR1
SCHEMBL5169946 0.73 CA2 (0.52) CA2CA4CA5AALDH1A1HSD17B10
SCHEMBL8020135 0.73 ALDH1A1 (0.40) ESR1ESR2CA2CA4CA5A
SCHEMBL2384713 0.72 NPSR1 (0.47) ALDH1A1HSD17B10TSHRTDP1NPSR1
SCHEMBL13997113 0.71 ALDH1A1 (0.56) ESR1ESR2ALDH1A1HSD17B10TSHR
Diphenylamine SCHEMBL29103681 0.70 HSD17B10 (0.67) ALDH1A1HSD17B10TSHRTDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114605-B Method for polymer synthesis 沙特阿美技术公司 2018-06-22 CN disclosed
CN-107708693-A Metal-chelator of Metabolic programming and application thereof 佛罗里达大学研究基金会 2018-02-16 CN disclosed
EP-0573182-B1 Process for extracting metal values AVECIA LTD (GB) 2000-01-05 EP disclosed
US-5728853-A AMIDO(BISTHIOPHOSHORYL) COMPOUNDS USEFUL FOR EXTRACTING METAL VALUES FROM AQUEOUS SOLUTIONS OF METAL SALTS ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0731805-A1 AMIDES OF ACIDS OF PHOSPHORUS FOR THE EXTRACTION OF METALS ZENECA LIMITED (GB) 1996-09-18 EP disclosed
US-5557003-A SOLVENT EXTRACTION OF ZINC FROM ORE ZENECA LIMITED (GB) 1996-09-17 US disclosed
US-5502250-A HYDROMETALLURGICAL PROCESS FOR EXTRACTING ZINC FROM ORE ZENECA LIMITED (GB) 1996-03-26 US disclosed
US-5433855-A Solvent extraction ZENECA LIMITED (GB) 1995-07-18 US disclosed
WO-1995015329-A1 AMIDES OF ACIDS OF PHOSPHORUS FOR THE EXTRACTION OF METALS ZENECA LIMITED (GB) 1995-06-08 WO disclosed
US-5393431-A Solvent extraction using a aminobis(thiophosphoryl) compound ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0573182-A1 Process for extracting metal values ZENECA LIMITED (GB) 1993-12-08 EP disclosed