SCHEMBL8633593

SCHEMBL8633593

NS(=O)(=O)c1ccccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GPR55 Q9Y2T6 4/20 0.51
BLM P54132 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
LRRK2 Q5S007 2/20 0.48
GYS1 P13807 8/20 0.48
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
MEN1 O00255 1/20 0.48
NR2F2 P24468 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
ALOX5AP P20292 3/20 0.40
FEN1 P39748 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL8629979 0.90 GYS1 (0.58) MAPTGPR55BLMMAPK1HTT
SCHEMBL8635394 0.89 LRRK2 (0.49) MAPTGPR55BLMMAPK1HTT
SCHEMBL8631356 0.89 GYS1 (0.57) MAPTGPR55BLMMAPK1HTT
SCHEMBL8632688 0.88 GYS1 (0.58) MAPTGPR55BLMMAPK1HTT
SCHEMBL8629857 0.88 LRRK2 (0.48) MAPTGPR55BLMMAPK1HTT
SCHEMBL8628834 0.87 LRRK2 (0.60) MAPTGPR55LRRK2GYS1CNR1
SCHEMBL8633703 0.85 MAPT (0.60) MAPTGPR55BLMMAPK1HTT
SCHEMBL8631700 0.85 TRPV1 (0.47) MAPTGPR55BLMMAPK1HTT
SCHEMBL8627994 0.85 LRRK2 (0.46) MAPTGPR55BLMMAPK1HTT
SCHEMBL8627701 0.84 GYS1 (0.46) MAPTGPR55BLMMAPK1HTT

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