SCHEMBL8627701

SCHEMBL8627701

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)n[nH]c2C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 5/20 0.46
LRRK2 Q5S007 3/20 0.45
MAPT P10636 4/20 0.44
GPR55 Q9Y2T6 3/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MEN1 O00255 1/20 0.44
NR2F2 P24468 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5AP P20292 6/20 0.43
FEN1 P39748 6/20 0.43
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL8634599 0.92 LRRK2 (0.46) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8631668 0.87 PTGS2 (0.50) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8634944 0.86 LRRK2 (0.49) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8629857 0.86 LRRK2 (0.48) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8630890 0.85 LRRK2 (0.48) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8629229 0.85 MAPT (0.49) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8631356 0.85 GYS1 (0.57) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8633624 0.84 MAPT (0.46) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8633593 0.84 MAPT (0.51) GYS1LRRK2MAPTGPR55CNR1
SCHEMBL8630119 0.83 MAPT (0.45) GYS1LRRK2MAPTGPR55CNR1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed