SCHEMBL8016489

SCHEMBL8016489

NP(=S)(Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 3/20 0.43
PTGS2 P35354 2/20 0.43
IDO1 P14902 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CTSD P07339 1/20 0.41
TSHR P16473 3/20 0.41
TAS2R38 P59533 3/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8020135 0.78 ALDH1A1 (0.40) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL2384713 0.78 NPSR1 (0.47) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL239971 0.74 KDM4E (0.50) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL6831562 0.74 ALDH1A1 (0.44) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL28253909 0.74 KDM4E (0.50) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL465455 0.73 NPSR1 (0.41) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL30443421 0.72 ALDH1A1 (0.43) NPSR1TDP1CYP3A4PTGS2IDO1
Hydrochloric Acid SCHEMBL29269084 0.72 KDM4E (0.48) NPSR1TDP1CYP3A4PTGS2IDO1
Hydrochloric Acid SCHEMBL11409053 0.72 KDM4E (0.48) NPSR1TDP1CYP3A4PTGS2IDO1
SCHEMBL6832574 0.70 NPSR1 (0.41) NPSR1TDP1CYP3A4PTGS2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 CN disclosed
CN-114174281-A Degradation agent for cyclin dependent kinase 7(CDK7) and use thereof 达纳-法伯癌症研究公司 2022-03-11 CN disclosed
CN-112312899-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2021-02-02 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
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
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