SCHEMBL3249968

SCHEMBL3249968

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCCCCC4)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.54
PARG Q86W56 1/20 0.51
ALDH1A1 P00352 1/20 0.46
BRAF P15056 1/20 0.44
MAPT P10636 8/20 0.44
TP53 P04637 7/20 0.44
POLB P06746 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL3248538 1.00 TDP1 (0.54) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3242536 0.99 TDP1 (0.53) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3243012 0.95 PARG (0.56) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3245470 0.91 PARG (0.50) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3242768 0.90 PARG (0.45) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3252622 0.90 TDP1 (0.54) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3251568 0.89 PARG (0.48) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3251014 0.89 TDP1 (0.53) TDP1PARGBRAFMAPTTP53
SCHEMBL3254632 0.88 PARG (0.46) TDP1PARGALDH1A1BRAFMAPT
SCHEMBL3247256 0.86 TDP1 (0.53) TDP1PARGALDH1A1MAPTTP53

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 4 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