SCHEMBL7749020

SCHEMBL7749020

O=C1CCC(S(=O)(=O)Cl)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
MAOA P21397 2/20 0.36
CYP2A6 P11509 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.36
CES1 P23141 3/20 0.35
S100A4 P26447 3/20 0.34
MAPT P10636 3/20 0.34
BCHE P06276 3/20 0.33
CDC25B P30305 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPRC P08575 2/20 0.33
IDO1 P14902 1/20 0.33
DNMT1 P26358 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
PARP1 P09874 1/20 0.33

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
Hydrochloric Acid SCHEMBL7749025 0.83 HTR6 (0.35) HTR6MAOACYP2A6MAOBPTGS2
SCHEMBL1339938 0.72 ACHE (0.41) MAOACYP2A6MAOBPTGS2CES1
SCHEMBL14169143 0.72 ACHE (0.41) MAOACYP2A6MAOBPTGS2CES1
SCHEMBL13383479 0.72 ACHE (0.41) MAOACYP2A6MAOBPTGS2CES1
SCHEMBL1162887 0.72 ANPEP (0.43) MAOACYP2A6MAOBS100A4
SCHEMBL8250749 0.72 ACHE (0.41) MAOACYP2A6MAOBPTGS2CES1
(-)-4-Hydroxy-Alpha-Tetralone SCHEMBL14592023 0.72 POLL (0.50) MAOACYP2A6MAOBCES1S100A4
SCHEMBL28785855 0.72 MAOA (0.39) MAOACYP2A6MAOBPTGS2CES1
(-)-4-Hydroxy-Alpha-Tetralone SCHEMBL3694170 0.72 POLL (0.50) MAOACYP2A6MAOBCES1S100A4
SCHEMBL1265255 0.72 ANPEP (0.43) MAOACYP2A6MAOBS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053509-A4 PHOTOSENSITIVE DIAZONAPHTHOQUINONE ESTERS BASED ON SELECTED CYCLIC ALKYL ETHER-CONTAINING PHENOLICS AND THEIR USE IN RADIATION SENSITIVE MIXTURES ARCH SPEC CHEM INC (US) 2001-10-17 EP disclosed
EP-1053509-A1 PHOTOSENSITIVE DIAZONAPHTHOQUINONE ESTERS BASED ON SELECTED CYCLIC ALKYL ETHER-CONTAINING PHENOLICS AND THEIR USE IN RADIATION SENSITIVE MIXTURES Arch Specialty Chemicals, Inc. (US) 2000-11-22 EP disclosed
WO-1999040485-A1 PHOTOSENSITIVE DIAZONAPHTHOQUINONE ESTERS BASED ON SELECTED CYCLIC ALKYL ETHER-CONTAINING PHENOLICS AND THEIR USE IN RADIATION SENSITIVE MIXTURES OLIN MICROELECTRONIC CHEMICALS, INC. (US) 1999-08-12 WO disclosed