SCHEMBL6841492

SCHEMBL6841492

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
GUCY1B2 O75343 1/20 0.53
GUCY1A2 P33402 1/20 0.53
GUCY1A1 Q02108 1/20 0.53
GUCY1B1 Q02153 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
S100A4 P26447 6/20 0.46
NQO1 P15559 2/20 0.45
TDP2 O95551 5/20 0.42
NSD2 O96028 2/20 0.42
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
CASP3 P42574 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
SCHEMBL6841545 0.89 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6845567 0.87 KMT2A (0.51) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6841572 0.86 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6846912 0.81 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL13940470 0.77 MAPT (0.77) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL970943 0.70 MAPT (1.00) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29401747 0.70 MAPT (1.00) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6845721 0.70 STAT3 (0.43) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6350632 0.69 MAPT (0.59) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6846968 0.69 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2MAPTMEN1

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