SCHEMBL8628834

SCHEMBL8628834

NS(=O)(=O)c1ccccc1-c1n[nH]c(C(F)(F)F)c1-c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.60
GYS1 P13807 7/20 0.49
MAPT P10636 3/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
GPR55 Q9Y2T6 2/20 0.49
MEN1 O00255 1/20 0.49
NR2F2 P24468 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
ALOX5AP P20292 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
SCHEMBL8629979 0.91 GYS1 (0.58) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8631356 0.88 GYS1 (0.57) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8635394 0.88 LRRK2 (0.49) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8631375 0.87 LRRK2 (0.49) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8629857 0.87 LRRK2 (0.48) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8632688 0.87 GYS1 (0.58) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8633593 0.87 MAPT (0.51) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8627852 0.86 LRRK2 (0.44) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8633703 0.84 MAPT (0.60) LRRK2GYS1MAPTCNR1CNR2
SCHEMBL8627994 0.84 LRRK2 (0.46) LRRK2GYS1MAPTCNR1CNR2

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