SCHEMBL8020135

SCHEMBL8020135

NP(=S)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 3/20 0.40
PTGS2 P35354 2/20 0.40
ALOX12 P18054 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2B P41595 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
IDO1 P14902 2/20 0.39
CYP2D6 P10635 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
SCHEMBL8016489 0.78 NPSR1 (0.44) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL30443421 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL5169942 0.74 KDM4E (0.47) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL8020136 0.73 ESR1 (0.41) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL6683596 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL2384713 0.72 NPSR1 (0.47) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL7660048 0.69 ESR1 (0.46) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL6683769 0.69 ESR1 (0.46) ALDH1A1TDP1TSHRALOX12L3MBTL1
SCHEMBL6831562 0.69 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1TSHRPTGS2
SCHEMBL239971 0.69 KDM4E (0.50) ALDH1A1HSD17B10TDP1TSHRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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