SCHEMBL6841572

SCHEMBL6841572

COc1ccc(NC2=CC(=O)c3ncccc3C2=O)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GUCY1B2 O75343 1/20 0.50
GUCY1A2 P33402 1/20 0.50
GUCY1A1 Q02108 1/20 0.50
GUCY1B1 Q02153 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NSD2 O96028 2/20 0.47
TDP2 O95551 2/20 0.47
NQO1 P15559 2/20 0.45
S100A4 P26447 4/20 0.44
STAT3 P40763 1/20 0.42
IDO1 P14902 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL6841492 0.86 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL6841545 0.86 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL6845567 0.84 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL10506975 0.79 ALDH1A1 (0.71) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL6846912 0.79 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL6846597 0.71 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6847129 0.71 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1GUCY1B2
SCHEMBL14191238 0.68 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL848495 0.68 AKR1C3 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL970943 0.68 MAPT (1.00) KMT2AMEN1MAPTALDH1A1GUCY1B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202992-B1 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS CEPHALON FRANCE (FR) 2004-09-15 EP disclosed
EP-1202992-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2002-05-08 EP disclosed
WO-2001012631-A2 ASCIDIDEMIN DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS LABORATOIRE L. LAFON (FR) 2001-02-22 WO disclosed