SCHEMBL9346182

SCHEMBL9346182

CN(O)C1=NC(=O)/C(=C/c2c(C(C)(C)C)cc(O)cc2C(C)(C)C)S1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.53
PTGS2 P35354 8/20 0.53
ALOX5 P09917 3/20 0.44
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
PIM1 P11309 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL8961989 0.82 PTGS2 (0.76) PTGS1PTGS2ALOX5POLB
SCHEMBL8978636 0.76 PTGS1 (0.40) PTGS1PTGS2ALOX5MEN1KMT2A
SCHEMBL8978826 0.75 PTGS1 (0.43) PTGS1PTGS2ALOX5MEN1KMT2A
SCHEMBL9346192 0.75 PTGS1 (0.43) PTGS1PTGS2ALOX5MEN1KMT2A
SCHEMBL8978838 0.75 PTGS1 (0.43) PTGS1PTGS2ALOX5MEN1KMT2A
SCHEMBL8962192 0.73 PTGS2 (0.78) PTGS1PTGS2ALOX5POLB
SCHEMBL8962137 0.73 PTGS2 (0.78) PTGS1PTGS2ALOX5POLB
SCHEMBL8961992 0.69 PTGS2 (1.00) PTGS1PTGS2ALOX5POLB
SCHEMBL8961923 0.69 PTGS2 (0.68) PTGS1PTGS2ALOX5
SCHEMBL8962093 0.69 PTGS2 (0.68) PTGS1PTGS2ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290800-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-03-01 US disclosed
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US disclosed