SCHEMBL9632879

SCHEMBL9632879

COc1ccc(CC(C)=O)cc1S(=O)(=O)N1CCSCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
UBE2N P61088 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.50
USP2 O75604 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.48

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
SCHEMBL9633601 0.89 POLB (0.60) TSHRUBE2NPOLBKMT2AUSP2
SCHEMBL9633286 0.88 TSHR (0.62) TSHRUBE2NPOLBSMN1; SMN2KMT2A
SCHEMBL9631897 0.87 ALDH1A1 (0.60) TSHRUBE2NPOLBSMN1; SMN2KMT2A
SCHEMBL9632623 0.86 TSHR (0.69) TSHRUBE2NPOLBSMN1; SMN2KMT2A
SCHEMBL7662928 0.79 SMN1; SMN2 (0.70) POLBSMN1; SMN2KMT2AUSP2GAA
SCHEMBL48765 0.75 PKM (0.57) TSHRKMT2AL3MBTL1GAAMEN1
SCHEMBL30997420 0.75 CA5A (0.47) TSHRUBE2NPOLBSMN1; SMN2KMT2A
SCHEMBL4660848 0.75 CA5A (0.47) TSHRUBE2NPOLBSMN1; SMN2KMT2A
SCHEMBL30610782 0.75 PKM (0.57) TSHRKMT2AL3MBTL1GAAMEN1
SCHEMBL9125107 0.73 CA5A (0.48) TSHRUBE2NSMN1; SMN2KMT2AL3MBTL1

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-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP disclosed