SCHEMBL8629112

SCHEMBL8629112

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LRRK2 Q5S007 1/20 0.43
F10 P00742 7/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GYS1 P13807 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL8631098 0.88 CCNE2 (0.44) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8627791 0.83 PTGS1 (0.42) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8633967 0.82 LRRK2 (0.58) PTGS1PTGS2LRRK2MEN1KMT2A
SCHEMBL8632292 0.81 PTGS2 (0.41) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL7778142 0.81 PTGS2 (0.48) PTGS1PTGS2LRRK2CA12CA1
SCHEMBL8635076 0.79 PTGS2 (0.41) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8632688 0.79 GYS1 (0.58) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8631595 0.78 GYS1 (0.48) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8635017 0.77 GYS1 (0.47) PTGS1PTGS2LRRK2F10MEN1
SCHEMBL8627977 0.75 PTGS2 (0.50) PTGS1PTGS2LRRK2F10CA12

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