SCHEMBL12998652

[C-]#[N+]c1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N=Nc1c(C)nn(-c2cc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.34

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	XDH	P47989	1/20	0.34

▸	MEN1	O00255	1/20	0.30

▸	NPC1	O15118	1/20	0.30

▸	MAPT	P10636	1/20	0.30

▸	MAPK1	P28482	1/20	0.30

▸	RAB9A	P51151	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	SMN1; SMN2	Q16637	1/20	0.30

▸	TDP1	Q9NUW8	1/20	0.30

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
SCHEMBL12998697	0.93	XDH (0.37)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998805	0.93	XDH (0.37)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL10139521	0.93	XDH (0.36)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL10052067	0.93	XDH (0.36)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL10139559	0.93	XDH (0.36)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998807	0.90	XDH (0.35)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998695	0.90	XDH (0.37)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998659	0.89	XDH (0.33)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998668	0.89	XDH (0.37)	XDHMEN1NPC1MAPTMAPK1
SCHEMBL12998674	0.89	XDH (0.38)	XDHMEN1NPC1MAPTMAPK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8372190-B2	Ink set, inkjet recording method and recorded material	FUJIFILM CORPORATION (JP)	2013-02-12	—	—	US	disclosed
US-20100302305-A1	INK SET, INKJET RECORDING METHOD AND RECORDED MATERIAL	FUJIFILM CORPORATION (JP)	2010-12-02	—	—	US	disclosed