SCHEMBL9149244

SCHEMBL9149244

COCC(=O)Nc1cccc(S(=O)(=O)CCO)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
MAPK10 P53779 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 3/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL4241319 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL7933997 0.82 CA1 (0.50) SMN1; SMN2ALDH1A1MAPTMAPK10LMNA
SCHEMBL10803250 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTMAPK10LMNA
SCHEMBL9495103 0.80 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL4243028 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL4299155 0.78 TP53 (0.64) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL9150227 0.78 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL7031844 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTMAPK10LMNA
SCHEMBL9148011 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTHPGDCYP2C19
SCHEMBL27785864 0.75 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTMAPK10LMNA

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
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