SCHEMBL17613349

SCHEMBL17613349

COC(=O)c1cc(-c2ccc(N[S+]([O-])c3c(C)c(C)cc(C)c3C)c3ccccc23)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL17613344 0.90 FABP4 (0.41) MCL1ALDH1A1FABP4FABP5HSD17B10
SCHEMBL17599324 0.80 MEN1 (0.47) KMT2AMCL1KDM4EALDH1A1MEN1
SCHEMBL17613380 0.76 PTGER1 (0.37) KMT2AMEN1FABP4FABP5
SCHEMBL17599358 0.69 ALDH1A1 (0.58) KMT2AMCL1KDM4EALDH1A1MEN1
SCHEMBL22319386 0.67 NR4A2 (0.55) SLC6A4SLC6A3KMT2AMCL1KDM4E
SCHEMBL17599470 0.67 MEN1 (0.46) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL16548130 0.66 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2KMT2AMCL1
SCHEMBL17613338 0.65 NR1H4 (0.41) —
SCHEMBL16548241 0.65 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2KMT2AMCL1
SCHEMBL29188757 0.62 SLC6A4 (0.49) SLC6A4SLC6A3KMT2AKDM4EALDH1A1

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
EP-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 — — EP disclosed
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