SCHEMBL3243012

SCHEMBL3243012

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CC4)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 3/20 0.56
BRAF P15056 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
BACE1 P56817 1/20 0.38
GAA P10253 2/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL3242536 0.96 TDP1 (0.53) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3248538 0.95 TDP1 (0.54) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3249968 0.95 TDP1 (0.54) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3245470 0.94 PARG (0.50) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3251568 0.92 PARG (0.48) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3254632 0.90 PARG (0.46) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3242768 0.89 PARG (0.45) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL4717186 0.86 PARG (0.41) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL3250602 0.86 PARG (0.50) PARGBRAFTDP1ALDH1A1MAPT
SCHEMBL4159322 0.85 CCR8 (0.43) PARGTDP1ALDH1A1KDM4EPOLB

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 6 patents. 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
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed