SCHEMBL10453043

SCHEMBL10453043

COc1ccccc1S(=O)(=O)NCCc1ccc(C(CC=O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F10 P00742 1/20 0.47
ITGAV P06756 1/20 0.44
HTT P42858 2/20 0.44
PLA2G4A P47712 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SGMS1 Q86VZ5 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10452827 0.82 ALDH1A1 (0.54) ALDH1A1MAPT
SCHEMBL10452731 0.82 NSD2 (0.48) ALDH1A1SMN1; SMN2CASP1KDM4EMAPT
SCHEMBL6568071 0.80 F10 (0.64) ALDH1A1SMN1; SMN2F10HTTPLA2G4A
SCHEMBL10452821 0.78 TAAR1 (0.57) ALDH1A1SGMS1POLBMAPT
SCHEMBL10461810 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2F10ITGAVHTT
SCHEMBL10451941 0.76 RAB9A (0.55) ALDH1A1SGMS1KDM4EMAPT
SCHEMBL10453042 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL10452830 0.75 TBXA2R (0.61) ALDH1A1SGMS1TP53MAPT
SCHEMBL10451939 0.74 AKR1C3 (0.55) ALDH1A1F10TP53MAPT
SCHEMBL10463338 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2F10HTTPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed