SCHEMBL3255497

SCHEMBL3255497

CC1(OC(=O)c2c[nH]c3c(=O)[nH]c4ccc(S(=O)(=O)NC5CCNCC5)cc4c23)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
PARG Q86W56 4/20 0.42
BRAF P15056 1/20 0.37
MAPT P10636 7/20 0.36
POLB P06746 6/20 0.36
TP53 P04637 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR4 Q13639 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3255208 0.88 PARG (0.48) TDP1PARGBRAFMAPTPOLB
SCHEMBL13928154 0.85 PARG (0.46) TDP1PARGBRAFMAPTPOLB
SCHEMBL3254905 0.85 PARG (0.45) TDP1PARGBRAFMAPTPOLB
SCHEMBL13928156 0.83 TDP1 (0.43) TDP1PARGBRAFMAPTPOLB
SCHEMBL3252622 0.83 TDP1 (0.54) TDP1PARGBRAFMAPTPOLB
SCHEMBL3250747 0.83 PARG (0.43) TDP1PARGBRAFMAPTPOLB
SCHEMBL3245470 0.83 PARG (0.50) TDP1PARGBRAFMAPTPOLB
SCHEMBL3251014 0.82 TDP1 (0.53) TDP1PARGBRAFMAPTPOLB
SCHEMBL3253347 0.82 PARG (0.42) TDP1PARGBRAFMAPTPOLB
SCHEMBL3245466 0.81 PARG (0.42) TDP1PARGBRAFMAPTPOLB

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