SCHEMBL12084072

Cc1cc(C(=O)O)cc(-n2ncc(S(C)(=O)=O)c2N=Nc2c(C)nn(-c3nc(O)nc(-n4nc(C)c(N=Nc5c(S(C)(=O)=O)cnn5-c5cc(C(=O)O)cc(C(=O)O)c5)c4N)n3)c2N)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	5/20	0.33

▸	NPC1	O15118	4/20	0.33

▸	RAB9A	P51151	4/20	0.33

▸	SMN1; SMN2	Q16637	4/20	0.33

▸	TDP1	Q9NUW8	3/20	0.33

▸	MAPK1	P28482	3/20	0.33

▸	MEN1	O00255	2/20	0.33

▸	KMT2A	Q03164	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	ALOX12	P18054	1/20	0.32

▸	HTT	P42858	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.32

▸	GAA	P10253	1/20	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
SCHEMBL60015	0.97	MAPT (0.35)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL10052076	0.89	MAPT (0.34)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4400175	0.89	MAPT (0.34)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL10139526	0.87	—	—
SCHEMBL13159225	0.87	—	—
SCHEMBL15233454	0.87	—	—
SCHEMBL12998664	0.86	MAPT (0.37)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL12998657	0.84	MAPT (0.36)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13239253	0.83	MAPT (0.32)	MAPTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL58810	0.82	XDH (0.41)	MAPTNPC1RAB9ASMN1; SMN2TDP1

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-8257479-B2	Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus	BROTHER KOGYO KABUSHIKI KAISHA (JP)	2012-09-04	—	—	US	disclosed