SCHEMBL6841545

SCHEMBL6841545

CC(=O)c1cc(C)ccc1NC1=CC(=O)c2ncccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
GUCY1B2 O75343 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GUCY1A2 P33402 1/20 0.53
GUCY1A1 Q02108 1/20 0.53
GUCY1B1 Q02153 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
S100A4 P26447 5/20 0.46
RAB9A P51151 2/20 0.46
NQO1 P15559 2/20 0.45
TDP2 O95551 4/20 0.42
NSD2 O96028 2/20 0.42
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
CASP3 P42574 1/20 0.39
HKDC1 Q2TB90 1/20 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 0.89 KMT2A (0.53) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL6845567 0.87 KMT2A (0.51) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL6841572 0.86 KMT2A (0.50) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL6846912 0.81 KMT2A (0.53) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL970943 0.70 MAPT (1.00) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL29401747 0.70 MAPT (1.00) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL6845721 0.70 STAT3 (0.43) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL6350632 0.69 MAPT (0.59) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL6846968 0.69 KMT2A (0.44) KMT2AMAPTMEN1GUCY1B2ALDH1A1
SCHEMBL18347803 0.69 S100A4 (0.58) KMT2AMAPTMEN1GUCY1B2ALDH1A1

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