SCHEMBL3250757

SCHEMBL3250757

COC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCNCC4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR4 Q13639 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
PIK3CG P48736 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3249535 0.93 TDP1 (0.51) PARGTDP1BRAFPDE4APDE4B
SCHEMBL3255447 0.92 TDP1 (0.52) PARGTDP1PDE4APDE4BPDE4C
SCHEMBL3254875 0.92 PARG (0.43) PARGTDP1BRAFKDRHSD17B10
SCHEMBL3245494 0.90 PARG (0.42) PARGTDP1BRAFKDRSMN1; SMN2
SCHEMBL3249352 0.90 TDP1 (0.42) PARGTDP1BRAFKDRPDE4A
SCHEMBL3253869 0.89 PARG (0.41) PARGTDP1BRAFKDRSMN1; SMN2
SCHEMBL3252200 0.88 PARG (0.41) PARGTDP1BRAFKDRSMN1; SMN2
SCHEMBL3250591 0.86 PARG (0.48) PARGTDP1BRAFHSD17B10SMN1; SMN2
SCHEMBL3255208 0.86 PARG (0.48) PARGTDP1BRAFKDRPDE4A
SCHEMBL3251597 0.84 PARG (0.47) PARGTDP1BRAFHSD17B10SMN1; 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