SCHEMBL7997495

SCHEMBL7997495

N#Cc1ccc(N(S(=O)(=O)/C=C/c2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SNCA P37840 3/20 0.42
PPARG P37231 7/20 0.41
NFE2L2 Q16236 2/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
DUSP3 P51452 1/20 0.41
FBP1 P09467 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7904260 0.76 PTGES2 (0.47) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL7904258 0.76 PTGES2 (0.47) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL8000279 0.75 KMT2A (0.43) LMNAMAPTALDH1A1L3MBTL1PPARG
SCHEMBL7905094 0.73 PTGES2 (0.50) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL7905095 0.73 PTGES2 (0.50) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL22735170 0.73 PPARG (0.71) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL22735168 0.73 PPARG (0.71) PTGES2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL11486259 0.72 ALDH1A1 (0.59) LMNAMAPTALDH1A1L3MBTL1SNCA
SCHEMBL700236 0.72 ALDH1A1 (0.59) LMNAMAPTALDH1A1L3MBTL1SNCA
SCHEMBL700237 0.72 ALDH1A1 (0.59) LMNAMAPTALDH1A1L3MBTL1SNCA

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
WO-2009120783-A1 HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE THE JOHNS HOPKINS UNIVERSITY (US) 2009-10-01 WO disclosed