SCHEMBL13330312

O=C(O)c1cccc(N=Nc2ccc(Nc3nc(Nc4ccc(N=Nc5cccc(C(=O)O)c5)cc4OCCS(=O)(=O)O)nc(N4CCN(c5nc(Nc6ccc(N=Nc7cccc(C(=O)O)c7)cc6OCCSOOO)nc(Nc6ccc(N=Nc7cccc(C(=O)O)c7)cc6OCCS(=O)(=O)O)n5)CC4)n3)c(OCCSOOO)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	3/20	0.38

▸	RAB9A	P51151	3/20	0.38

▸	MEN1	O00255	2/20	0.38

▸	NPC1	O15118	2/20	0.38

▸	HTT	P42858	2/20	0.38

▸	MAPT	P10636	3/20	0.32

▸	SMN1; SMN2	Q16637	2/20	0.32

▸	LMNA	P02545	1/20	0.31

▸	MAPK1	P28482	1/20	0.31

▸	GBA1	P04062	3/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL13330317	0.94	KMT2A (0.38)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330320	0.94	KMT2A (0.37)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330301	0.90	RHOA (0.30)	—
SCHEMBL14887272	0.89	KMT2A (0.43)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330318	0.88	HTT (0.32)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330315	0.88	MAPT (0.32)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330295	0.88	GBA1 (0.34)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330316	0.85	MEN1 (0.31)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330319	0.84	MEN1 (0.34)	KMT2ARAB9AMEN1NPC1HTT
SCHEMBL13330303	0.84	RHOA (0.30)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20100118067-A1	WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT	NIPPON KAYAKU KABUSHIKI KAISHA (JP)	2010-05-13	—	—	US	disclosed