SCHEMBL3249910

SCHEMBL3249910

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(N5CCOCC5)cc4)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
PDE3A Q14432 1/20 0.46
POLB P06746 5/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.41
PAX8 Q06710 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3255174 0.88 KMT2A (0.57) KMT2AMEN1PDE3APOLBALDH1A1
SCHEMBL3249059 0.87 MAPT (0.47) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3254878 0.87 PKM (0.52) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3243020 0.86 PKM (0.48) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3251980 0.86 HSD17B10 (0.45) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3250430 0.86 HSD17B10 (0.45) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3253968 0.86 PKM (0.49) KMT2AMEN1PDE3APOLBALDH1A1
SCHEMBL3249676 0.85 POLB (0.47) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3248794 0.85 MEN1 (0.58) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL3251774 0.85 CASP3 (0.52) KMT2AMEN1POLBALDH1A1MAPT

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