SCHEMBL11243380

SCHEMBL11243380

O=C(O)CC(S)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
HPGD P15428 6/20 0.53
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
ALOX5 P09917 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
CSNK1D P48730 1/20 0.47
NCS1 P62166 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 3/20 0.46

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
SCHEMBL6912351 0.82 PKM (0.54) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL2856934 0.82 HPGD (0.56) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL15149247 0.82 LOXL2 (0.63) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL27776620 0.81 HPGD (0.54) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL5687666 0.80 HPGD (0.60) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL9316764 0.79 PKM (0.61) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL30944811 0.79 PKM (0.52) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL402777 0.79 PKM (0.52) PKMHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL10352168 0.79 LOXL2 (0.54) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7032987 0.78 PKM (0.51) PKMHPGDHSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929658-B Non-water type glycol ether-based heat exchange fluid medium 张家港迪克汽车化学品有限公司 2020-12-08 CN claimed
CN-108929658-B Non-water type glycol ether-based heat exchange fluid medium 张家港迪克汽车化学品有限公司 2020-12-08 CN disclosed
CN-108929658-B Non-water type glycol ether-based heat exchange fluid medium 张家港迪克汽车化学品有限公司 2020-12-08 CN disclosed
US-4349468-A PENTAERYTHRITOL TETRAKIS(3-LAURYLTHIOPROPIONATE, FORMED FROM ALPHA-OLEFIN, 3-MERCAPTOPROPIONATE, AZONITRILE OR PEROXIDE CATALYST, PENTAERYTHRITOL ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-09-14 US disclosed
US-4321191-A THIO-CONTAINING POLYESTERS, POLYCARBONATES, AND COMPOUNDS; HEAT RESISTANCE; DISCOLORATION INHIBITION; MECHANICAL PROPERTIES ARGUS CHEMICAL CORP. (US) 1982-03-23 US disclosed
US-4199495-A Thiolcarbonate ester stabilizers ARGUS CHEMICAL CORP. (US) 1980-04-22 US disclosed
US-4105629-A SYNTHETIC RESIN STABILIZER COMPRISING A THIOETHER ESTER AND HINDERED PHENOLIC CARBONATE ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed
US-4080364-A Stabilization of polyolefins against degradative deterioration as a result of exposure to light and air at elevated temperatures ARGUS CHEMICAL CORPORATION (US) 1978-03-21 US disclosed