SCHEMBL20117809

SCHEMBL20117809

N[C@H](O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.44
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
MCL1 Q07820 1/20 0.43
KIT P10721 1/20 0.43
SCN9A Q15858 1/20 0.43
POLB P06746 1/20 0.43
PHGDH O43175 1/20 0.42
GBA1 P04062 1/20 0.42
HSD17B3 P37058 1/20 0.42
HSD17B2 P37059 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL2241472 0.90 MCL1 (0.45) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL2234241 0.90 MCL1 (0.45) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL2236007 0.90 MCL1 (0.45) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL10093362 0.89 L3MBTL1 (0.46) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL2241383 0.88 SCN9A (0.48) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL10093393 0.87 HDAC4 (0.44) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL20117530 0.87 L3MBTL1 (0.46) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL10093057 0.84 ALDH1A1 (0.46) PTGES2AVPR2GPR27L3MBTL1ALDH1A1
SCHEMBL2237975 0.84 ADRB3 (0.46) AVPR2GPR27L3MBTL1ALDH1A1ESR1
SCHEMBL2240766 0.83 SCN9A (0.43) PTGES2AVPR2GPR27L3MBTL1ALDH1A1

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-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed