SCHEMBL9149240

SCHEMBL9149240

COc1ccc(S(=O)(=O)CCO)cc1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 6/20 0.54
POLB P06746 4/20 0.54
APAF1 O14727 2/20 0.52
GRK2 P25098 2/20 0.52
CTDSP1 Q9GZU7 2/20 0.52
PSMD14 O00487 1/20 0.52
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 3/20 0.49
S100A4 P26447 1/20 0.49
CASP6 P55212 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11242760 0.90 ALDH1A1 (0.52) KMT2AALDH1A1POLBAPAF1GRK2
SCHEMBL10891943 0.87 KMT2A (0.58) KMT2AALDH1A1POLBAPAF1GRK2
SCHEMBL9496059 0.82 KMT2A (0.56) KMT2AALDH1A1POLBAPAF1GRK2
SCHEMBL28417802 0.81 KMT2A (0.61) KMT2AALDH1A1LMNAMEN1CASP6
SCHEMBL13294871 0.81 KMT2A (0.61) KMT2AALDH1A1LMNAMEN1RXFP1
SCHEMBL11332784 0.81 KMT2A (0.47) KMT2AALDH1A1POLBAPAF1GRK2
SCHEMBL12916670 0.80 KMT2A (0.60) KMT2AALDH1A1LMNAMEN1RXFP1
SCHEMBL11142183 0.80 CA1 (0.61) KMT2AALDH1A1LMNAMEN1RXFP1
SCHEMBL30629806 0.80 CA1 (0.61) KMT2AALDH1A1LMNAMEN1RXFP1
SCHEMBL1553581 0.80 KMT2A (0.63) KMT2AALDH1A1POLBAPAF1GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463100-A Spraying a mixture of an aminoaryl beta-hydroxyethylsulfone and sulfuric acid into a hot gas stream; drying, esterification and any hydrolysis take place simultaneously; granules HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US claimed
EP-0390826-B1 PROCESS FOR PRODUCING AMINOARYL-BETA-SULPHATOETHYLSULPHONE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP claimed
US-5463100-A Spraying a mixture of an aminoaryl beta-hydroxyethylsulfone and sulfuric acid into a hot gas stream; drying, esterification and any hydrolysis take place simultaneously; granules HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0390826-B1 PROCESS FOR PRODUCING AMINOARYL-BETA-SULPHATOETHYLSULPHONE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-19 EP disclosed
US-4778911-A INTERMEDIATES FOR FIBER-REACTIVE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
US-4482501-A REACTING AN AMINOARYL- OR AMIDOARYL-B- HYDROXYLETHYLSULFONE WITH SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-13 US disclosed
US-4346046-A FROM AMINOARYL-B-HYDROXYETHYLSULFONE AND SULFURIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-24 US disclosed