SCHEMBL10453025

SCHEMBL10453025

COc1ccc(S(=O)(=O)NCCc2cc[c]cc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.66
PDE4B Q07343 1/20 0.66
PDE4C Q08493 1/20 0.66
PDE4D Q08499 1/20 0.66
ALDH1A1 P00352 5/20 0.62
HTT P42858 4/20 0.61
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL7416728 0.86 HTT (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7877042 0.84 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4182162 0.83 KMT2A (0.77) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5188475 0.82 ALDH1A1 (0.81) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL10451944 0.81 AKR1C3 (0.61) ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL7877032 0.80 ALDH1A1 (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10462165 0.79 TBXA2R (0.63) ALDH1A1HTTKMT2ALMNAMAPK1
SCHEMBL7420609 0.79 HTT (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5169194 0.77 KMT2A (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5524577 0.77 ALDH1A1 (0.79) ALDH1A1HTTKMT2ALMNASMN1; SMN2

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 1 patent. 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