SCHEMBL8635017

SCHEMBL8635017

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 7/20 0.47
ALOX5AP P20292 3/20 0.43
LRRK2 Q5S007 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
NR2F2 P24468 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
F10 P00742 3/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FEN1 P39748 2/20 0.36

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
SCHEMBL8632688 0.91 GYS1 (0.58) GYS1ALOX5APLRRK2PTGS1PTGS2
SCHEMBL8631595 0.90 GYS1 (0.48) GYS1ALOX5APLRRK2PTGS1PTGS2
SCHEMBL8628165 0.89 LRRK2 (0.43) GYS1ALOX5APLRRK2MEN1MAPT
SCHEMBL7780727 0.81 LRRK2 (0.50) GYS1LRRK2PTGS1PTGS2CA12
SCHEMBL8629979 0.81 GYS1 (0.58) GYS1ALOX5APLRRK2MEN1MAPT
SCHEMBL8631356 0.81 GYS1 (0.57) GYS1ALOX5APLRRK2PTGS1PTGS2
SCHEMBL8635394 0.81 LRRK2 (0.49) GYS1ALOX5APLRRK2MEN1MAPT
SCHEMBL8633967 0.80 LRRK2 (0.58) GYS1LRRK2PTGS1PTGS2MEN1
SCHEMBL8630573 0.80 LRRK2 (0.43) GYS1ALOX5APLRRK2MEN1MAPT
SCHEMBL8633593 0.80 MAPT (0.51) GYS1ALOX5APLRRK2MEN1MAPT

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