SCHEMBL8660468

SCHEMBL8660468

CSc1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.62
LMNA P02545 3/20 0.62
CA12 O43570 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 11/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 2/20 0.59
TSHR P16473 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
STAT3 P40763 3/20 0.53
MAPT P10636 4/20 0.53
CYP2C19 P33261 2/20 0.53
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.53
NOD2 Q9HC29 1/20 0.53
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.47

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 0.84 MCOLN3 (0.78) MCOLN3LMNACA12CA2CA9
SCHEMBL8659813 0.83 LMNA (0.88) MCOLN3LMNACA12CA2CA9
SCHEMBL8657271 0.80 STAT3 (0.72) MCOLN3LMNACA12CA2CA9
SCHEMBL8657373 0.80 LMNA (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8661273 0.80 MCOLN3 (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8661304 0.80 MCOLN3 (0.63) MCOLN3LMNACA12CA2CA9
SCHEMBL8662980 0.79 STAT3 (0.80) MCOLN3LMNACA12CA2CA9
SCHEMBL9902123 0.78 LMNA (0.91) MCOLN3LMNACA12CA2CA9
SCHEMBL8660179 0.78 MCOLN3 (0.60) MCOLN3LMNACA12CA2CA9
SCHEMBL2516997 0.77 LMNA (1.00) 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