SCHEMBL6846912

SCHEMBL6846912

CC(=O)c1cc(NCc2ccccc2)ccc1NC1=CC(=O)c2ncccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 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
SMN1; SMN2 Q16637 1/20 0.53
NQO1 P15559 3/20 0.49
NSD2 O96028 3/20 0.43
TDP2 O95551 3/20 0.43
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HKDC1 Q2TB90 2/20 0.41
POLB P06746 2/20 0.41
BLM P54132 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41

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 0.81 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6841492 0.81 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6845567 0.79 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6841572 0.79 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL970943 0.71 MAPT (1.00) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL29401747 0.71 MAPT (1.00) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL6845721 0.69 STAT3 (0.43) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL30754596 0.66 NQO1 (1.00) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL8656092 0.66 MAPT (0.77) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL13940470 0.66 MAPT (0.77) KMT2AMEN1MAPTALDH1A1TDP1

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 4 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
US-20040023041-A1 Solvogels and a method of manufacture of the same QINETIQ LIMITED (GB) 2004-02-05 US 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