SCHEMBL8711266

SCHEMBL8711266

COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
HTT P42858 1/20 0.67
RAD52 P43351 1/20 0.67
LIMK2 P53671 1/20 0.67
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SLC16A3 O15427 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL5458136 0.87 POLB (1.00) POLBHTTRAD52LIMK2KMT2A
SCHEMBL3380247 0.86 POLB (0.68) POLBHTTKMT2AMEN1GAA
SCHEMBL2897956 0.84 CCR1 (0.60) POLBL3MBTL1SLC16A3
SCHEMBL3144642 0.84 CCR2 (0.62) POLBRAD52ALDH1A1
SCHEMBL3562888 0.83 SLC16A3 (0.64) POLBHTTLIMK2SMN1; SMN2L3MBTL1
SCHEMBL25073147 0.83 ACLY (0.66) POLBRAD52LIMK2KMT2AALDH1A1
SCHEMBL5459200 0.82 ALDH1A1 (0.66) POLBHTTLIMK2KMT2AMEN1
SCHEMBL7572319 0.82 POLB (0.68) POLBHTTKMT2AMEN1GAA
SCHEMBL7571620 0.82 POLB (0.68) POLBHTTKMT2AMEN1ALDH1A1
SCHEMBL789616 0.82 KEAP1 (0.72) POLBHTTKMT2AMEN1GAA

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
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed