SCHEMBL9587889

SCHEMBL9587889

O=c1[nH]c(-c2ccc3ccccc3c2)c(Sc2ccccc2)cc1-c1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PTGER3 P43115 3/20 0.34
GSTP1 P09211 1/20 0.33
PTGES O14684 1/20 0.33
NOTUM Q6P988 1/20 0.33
TYMS P04818 1/20 0.32
ALOX5 P09917 1/20 0.32
TEK Q02763 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CA12 O43570 1/20 0.32
MAOB P27338 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
GRK6 P43250 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 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
SCHEMBL9590145 0.90 TYMS (0.37) PTGER3TYMSALOX5TEKSIRT2
SCHEMBL9589264 0.89 PNP (0.32) TYMSMAOB
SCHEMBL9589737 0.80 PTGER3 (0.34) MAPK8MAPK9MAPK10PTGER3GSTP1
SCHEMBL9590686 0.79 TYMS (0.42) TYMSSIRT2SIRT1MAOB
SCHEMBL9587719 0.78 TYMS (0.35) TYMSMAOB
SCHEMBL9588467 0.78 MEN1 (0.39)
SCHEMBL9251638 0.75 PTGER3 (0.46) PTGER3GSTP1
SCHEMBL9374084 0.74 KDR (0.35) MAPK8MAPK9MAOBTUBB4ATUBB
SCHEMBL9374095 0.74 KDR (0.35) MAPK8MAPK9MAOBTUBB4ATUBB
SCHEMBL9588163 0.73 MIF (0.37) PTGER3ALOX5MAOB

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
WO-1993007137-A1 PYRIDINOL DERIVATIVES AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-04-15 WO disclosed