SCHEMBL21024537

COC(=O)c1cnn(C)c1/N=N/c1c(C(C)(C)C)nn(-c2nc(OC)nc(-n3nc(C(C)(C)C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.35

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	4/20	0.35

▸	MAPT	P10636	3/20	0.31

▸	NPC1	O15118	2/20	0.31

▸	RAB9A	P51151	2/20	0.31

▸	TDP1	Q9NUW8	1/20	0.31

▸	RIPK2	O43353	1/20	0.31

▸	MEN1	O00255	2/20	0.30

▸	TSHR	P16473	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

▸	CYP1A2	P05177	2/20	0.30

▸	CYP2C19	P33261	2/20	0.30

▸	CYP3A4	P08684	1/20	0.30

▸	PKM	P14618	1/20	0.30

▸	CYP2C9	P11712	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
SCHEMBL10454086	0.87	KMT2A (0.39)	KMT2AMAPTNPC1RAB9ATDP1
SCHEMBL15731940	0.87	GPR35 (0.41)	MAPTNPC1RAB9ATDP1RIPK2
SCHEMBL20405569	0.84	KMT2A (0.37)	KMT2AMAPTNPC1RAB9ATDP1
SCHEMBL15698862	0.84	NPC1 (0.44)	KMT2AMAPTNPC1RAB9ATDP1
SCHEMBL14765506	0.82	KMT2A (0.33)	KMT2ANPC1RAB9AMEN1TSHR
SCHEMBL9972775	0.82	KMT2A (0.35)	KMT2ANPC1RAB9AMEN1TSHR
SCHEMBL9972790	0.82	KMT2A (0.35)	KMT2ANPC1RAB9AMEN1TSHR
SCHEMBL13159974	0.82	KMT2A (0.35)	KMT2AMEN1TSHRCYP1A2CYP2C19
SCHEMBL15730954	0.82	GPR35 (0.37)	MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL10452774	0.81	KMT2A (0.40)	KMT2AMAPTNPC1RAB9ATDP1

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-20190153231-A1	PIGMENT DISPERSION LIQUID AND INKJET INK	FUJIFILM CORPORATION (JP)	2019-05-23	—	—	US	disclosed