SCHEMBL6841567

SCHEMBL6841567

COc1ccc(OC)c(NCC(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.57
MEN1 O00255 7/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
PKM P14618 1/20 0.57
KLF5 Q13887 1/20 0.57
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL6560025 0.84 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8358105 0.78 TP53 (0.83) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29826604 0.78 TP53 (0.83) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8703993 0.78 NPC1 (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL15583956 0.77 KMT2A (0.60) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL18101487 0.77 KMT2A (0.66) KMT2AMEN1MAPTMAPK1GAA
Hydrochloric Acid SCHEMBL10570595 0.77 NPC1 (0.70) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL1520429 0.75 TDP1 (0.72) KMT2AMAPTMAPK1TP53GAA
SCHEMBL30691740 0.75 HDAC8 (0.60) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL9424289 0.75 NPC1 (0.68) KMT2AMEN1NPC1RAB9AMAPT

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