SCHEMBL3241835

SCHEMBL3241835

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3cc(Cl)c(-c4cccc(S(C)(=O)=O)c4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.43
PRKAB2 O43741 5/20 0.35
PRKAG1 P54619 5/20 0.35
PRKAA2 P54646 5/20 0.35
PRKAA1 Q13131 5/20 0.35
PRKAG3 Q9UGI9 5/20 0.35
PRKAG2 Q9UGJ0 5/20 0.35
PRKAB1 Q9Y478 5/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TYMS P04818 1/20 0.33
IMPDH2 P12268 1/20 0.33
CSF1R P07333 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL3250925 0.87 NR1H2 (0.38) FASNMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3252420 0.87 FASN (0.44) FASNPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3249044 0.81 PRKAG1 (0.48) FASNPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3250736 0.81 CAMKK2 (0.36) FASNMAPTBRD4NR1H2JAK1
SCHEMBL3252385 0.79 WEE1 (0.36) MEN1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL3243041 0.79 WEE1 (0.38) MEN1POLBMAPTKMT2ACSF1R
SCHEMBL4159323 0.79 FASN (0.45) FASNPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3254886 0.78 PAK1 (0.42) MEN1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL3250589 0.78 NR1H2 (0.36) FASNMAP3K5BRD4NR1H2JAK1
SCHEMBL3255432 0.77 MET (0.41) MEN1POLBMAPTKMT2ASMN1; SMN2

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
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed