SCHEMBL8663000

SCHEMBL8663000

COc1cc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc(OC)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.55
LMNA P02545 2/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
STAT3 P40763 3/20 0.53
ACLY P53396 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 1/20 0.50
MCOLN2 Q8IZK6 1/20 0.50
MCOLN1 Q9GZU1 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.49
SLC40A1 Q9NP59 1/20 0.49

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
SCHEMBL8661244 0.89 MCOLN3 (0.58) MCOLN3LMNACA12CA2CA9
SCHEMBL8656778 0.89 MCOLN3 (0.55) MCOLN3LMNACA12CA2CA9
SCHEMBL8659787 0.88 MEN1 (0.60) MCOLN3LMNACA12CA2CA9
SCHEMBL8659433 0.88 STAT3 (0.58) MCOLN3LMNACA12CA2CA9
SCHEMBL8660021 0.86 PTGS2 (0.60) MCOLN3LMNACA12CA2CA9
SCHEMBL8656731 0.85 MCOLN3 (0.53) MCOLN3LMNACA12CA2CA9
SCHEMBL8657813 0.85 MEN1 (0.50) MCOLN3LMNAMEN1KMT2AKDM4E
SCHEMBL8657866 0.85 STAT3 (0.52) MCOLN3LMNACA12CA2CA9
SCHEMBL8661328 0.84 MCOLN3 (0.59) MCOLN3LMNACA12CA2CA9
SCHEMBL8660227 0.83 MCOLN3 (0.61) 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