SCHEMBL7201307

SCHEMBL7201307

O=S(O)c1ccccc1-c1ccccc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BCAT2 O15382 1/20 0.41
BACE1 P56817 1/20 0.39
HNF4A P41235 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
G6PD P11413 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL4452441 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL23752352 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL27957792 0.96 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL10639950 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL11414098 0.84 PPARG (0.38) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
Ether SCHEMBL8365038 0.84 LMNA (0.38) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL9151925 0.84 G6PD (0.44) ALDH1A1BACE1MAPK1KMT2AMEN1
SCHEMBL9151929 0.82 HNF4A (0.39) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL10639933 0.82 HNF4A (0.43) ALDH1A1HSD17B10HPGDBCL2L1HDAC4
SCHEMBL11859134 0.78 G6PD (0.48) ALDH1A1HSD17B10HPGDSMN1; SMN2G6PD

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-109438299-B Method for synthesizing benzenesulfonyl enamine compound from benzenesulfonyl hydrazide derivative and triethylamine under metal-free catalysis 湖南农业大学 2020-11-03 CN disclosed
CN-109232333-B Method for metal-free catalytic synthesis of benzenesulfonyl enamine compounds by benzene sulfinic acid sodium salt and triethylamine 湖南农业大学 2020-08-07 CN disclosed
US-6607903-B2 By using these genes, sulfur atoms can be released from the thiophene compounds in fossil fuel such as petroleum, and the diffusion of sulfur into the environment caused by the combustion of the fossil fuel can be prevented. PETROLEUM ENERGY CENTER (JP) 2003-08-19 US disclosed
US-20030032100-A1 Genes encoding desulfurization enzymes PETROLEUM ENERGY CENTER, A JAPAN CORPORATION 2003-02-13 US disclosed
US-6479271-B1 Genes encoding desulfurization enzymes PETROLEUM ENERGY CENTER (JP) 2002-11-12 US disclosed
EP-1069186-A1 GENE ENCODING DESULFURASES Petroleum Energy Center (JP) 2001-01-17 EP disclosed