SCHEMBL8660179

SCHEMBL8660179

O=S(=O)(Nc1ccccc1-c1ccc(CO)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.60
LMNA P02545 3/20 0.60
CA12 O43570 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
PTGES2 Q9H7Z7 2/20 0.56
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
STAT3 P40763 2/20 0.51
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5410713 0.85 MCOLN3 (0.78) MCOLN3LMNACA12CA2CA9
SCHEMBL8657373 0.84 LMNA (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8656961 0.83 MCOLN3 (0.58) MCOLN3LMNACA12CA2CA9
SCHEMBL8657271 0.81 STAT3 (0.72) MCOLN3LMNACA12CA2CA9
SCHEMBL8661304 0.81 MCOLN3 (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8661273 0.81 MCOLN3 (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8659813 0.81 LMNA (0.88) MCOLN3LMNACA12CA2CA9
SCHEMBL2822371 0.79 MEN1 (0.67) CA12CA2CA9ALDH1A1MAPT
SCHEMBL5943966 0.78 MCOLN3 (0.56) MCOLN3LMNACA12CA2CA9
SCHEMBL8659143 0.78 STAT3 (0.74) MCOLN3LMNACA12CA2CA9

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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed