SCHEMBL8662811

SCHEMBL8662811

COc1cc(N(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KEAP1 Q14145 4/20 0.45
NFE2L2 Q16236 3/20 0.45
ESR1 P03372 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 2/20 0.43
ALDH1A1 P00352 2/20 0.42
APP P05067 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL8660320 0.89 PKM (0.46) PKMESR1L3MBTL1PGRALDH1A1
SCHEMBL8659626 0.83 PKM (0.49) PKMESR1L3MBTL1PGRALDH1A1
SCHEMBL8659474 0.82 PKM (0.50) PKMKEAP1NFE2L2ESR1L3MBTL1
SCHEMBL8659120 0.81 PKM (0.49) PKMKEAP1ESR1L3MBTL1PGR
SCHEMBL8656891 0.81 PKM (0.49) PKMESR1L3MBTL1ALDH1A1
SCHEMBL8660463 0.81 PKM (0.49) PKMESR1PGRALDH1A1LMNA
SCHEMBL8660081 0.79 PKM (0.50) PKMESR1L3MBTL1ALDH1A1LMNA
SCHEMBL8662966 0.78 PKM (0.49) PKMESR1PGRALDH1A1LMNA
SCHEMBL8658102 0.78 PKM (0.49) PKMESR1L3MBTL1ALDH1A1LMNA
SCHEMBL28134996 0.78 L3MBTL1 (0.61) PKMKEAP1NFE2L2ESR1L3MBTL1

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