SCHEMBL3249833

SCHEMBL3249833

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4C)cc3c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.44
TDP1 Q9NUW8 6/20 0.44
MAPT P10636 9/20 0.40
TP53 P04637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL3250099 0.89 POLB (0.47) POLBTDP1MAPTTP53L3MBTL1
SCHEMBL3243020 0.89 PKM (0.48) POLBTDP1MAPTTP53LMNA
SCHEMBL3249858 0.88 HSD17B10 (0.42) POLBTDP1MAPTTP53LMNA
SCHEMBL3250191 0.87 POLB (0.47) POLBTDP1MAPTTP53L3MBTL1
SCHEMBL3249416 0.86 POLB (0.44) POLBTDP1MAPTTP53L3MBTL1
SCHEMBL3249397 0.86 ALDH1A1 (0.44) POLBTDP1MAPTTP53LMNA
SCHEMBL3250772 0.86 HTT (0.42) POLBKMT2APKMMEN1MAPK1
SCHEMBL3245542 0.85 ALDH1A1 (0.42) POLBTDP1MAPTTP53LMNA
SCHEMBL3248591 0.84 TAS2R14 (0.43) POLBTDP1MAPTTP53L3MBTL1
SCHEMBL3248921 0.84 ALDH1A1 (0.41) MAPTTP53L3MBTL1LMNAKMT2A

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