SCHEMBL6189481

SCHEMBL6189481

CC(=O)c1cc(F)c(F)cc1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.42
KMT2A Q03164 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TP53 P04637 1/20 0.39
GPR35 Q9HC97 2/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
PTPRC P08575 2/20 0.38
MEN1 O00255 2/20 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
SCHEMBL3093451 0.89 ACMSD (0.42) ACMSDKMT2AADORA3ADORA2ACES2
SCHEMBL1515817 0.82 CES2 (0.50) ACMSDKMT2ACES2CES1SMN1; SMN2
SCHEMBL5211314 0.82 CES2 (0.44) ACMSDKMT2AADORA3ADORA2ACES2
SCHEMBL4074665 0.81 ACMSD (0.54) ACMSDNPSR1ALOX5APFEN1ALDH1A1
SCHEMBL12388490 0.78 KDM4C (0.48) ACMSDKMT2ANPC1RAB9APTPRC
SCHEMBL11725835 0.74 S100A4 (0.56) KMT2AADORA3ADORA2ANPSR1SMN1; SMN2
SCHEMBL11308153 0.74 S100A4 (0.56) KMT2AADORA3ADORA2ACES2CES1
SCHEMBL13461 0.73 CES2 (0.65) KMT2ACES2CES1SMN1; SMN2GAA
SCHEMBL29593208 0.73 CES2 (0.65) KMT2ACES2CES1SMN1; SMN2GAA
SCHEMBL1515697 0.71 ALOX5AP (0.59) ACMSDALOX5APFEN1TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 EP disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 WO disclosed