SCHEMBL8629979

SCHEMBL8629979

NS(=O)(=O)c1ccccc1-c1n[nH]c(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 8/20 0.58
MAPT P10636 6/20 0.58
GPR55 Q9Y2T6 4/20 0.58
CNR1 P21554 2/20 0.58
CNR2 P34972 2/20 0.58
MEN1 O00255 1/20 0.58
NR2F2 P24468 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
LRRK2 Q5S007 2/20 0.52
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
ALOX5AP P20292 1/20 0.41
BLM P54132 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8635394 0.91 LRRK2 (0.49) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8628834 0.91 LRRK2 (0.60) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8631356 0.91 GYS1 (0.57) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8632688 0.90 GYS1 (0.58) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8633593 0.90 MAPT (0.51) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8629857 0.90 LRRK2 (0.48) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8634944 0.88 LRRK2 (0.49) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8631375 0.88 LRRK2 (0.49) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8633703 0.87 MAPT (0.60) GYS1MAPTGPR55CNR1CNR2
SCHEMBL8634849 0.87 LRRK2 (0.48) GYS1MAPTGPR55CNR1CNR2

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