SCHEMBL8631375

SCHEMBL8631375

NS(=O)(=O)c1ccccc1-c1n[nH]c(C(F)(F)F)c1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.49
GYS1 P13807 4/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.46
NR2F2 P24468 1/20 0.46
CNR2 P34972 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PIM1 P11309 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 1/20 0.40
NPY5R Q15761 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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 0.88 GYS1 (0.58) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8628834 0.87 LRRK2 (0.60) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8635394 0.83 LRRK2 (0.49) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8631356 0.83 GYS1 (0.57) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8627852 0.83 LRRK2 (0.44) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8634944 0.82 LRRK2 (0.49) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8629857 0.82 LRRK2 (0.48) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8633593 0.82 MAPT (0.51) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL8632688 0.82 GYS1 (0.58) LRRK2GYS1MEN1MAPTCNR1
SCHEMBL7778234 0.82 LRRK2 (0.65) LRRK2MEN1MAPTCNR1NR2F2

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