SCHEMBL14650719

CCCCNCCS(=O)(=O)c1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(C(C)COCC(CC)(COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(c2ccc(S(=O)(=O)CCNCCCC)cc2)C7=O)COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(c2ccc(S(=O)(=O)CCNCCCC)cc2)C7=O)C6=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	1/20	0.32

▸	CA1	P00915	1/20	0.32

▸	CA2	P00918	1/20	0.32

▸	CA9	Q16790	1/20	0.32

▸	NPSR1	Q6W5P4	1/20	0.32

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
SCHEMBL14650702	0.91	—	—
SCHEMBL14650686	0.90	TERT (0.31)	NPSR1
SCHEMBL14650718	0.87	CA12 (0.35)	CA12CA1CA2CA9NPSR1
SCHEMBL14650693	0.87	CA12 (0.32)	CA12CA1CA2CA9NPSR1
SCHEMBL14650541	0.83	CA12 (0.31)	CA12CA1CA2CA9
SCHEMBL14650709	0.82	CA12 (0.31)	CA12CA1CA2CA9
SCHEMBL14650699	0.82	CA12 (0.32)	CA12CA1CA2CA9NPSR1
SCHEMBL14650726	0.81	CA12 (0.36)	CA12CA1CA2CA9NPSR1
SCHEMBL14650710	0.80	ALDH1A1 (0.33)	CA12CA1CA2CA9
SCHEMBL14650677	0.80	KMT2A (0.38)	—

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-9051468-B2	Dyes for polymer coloration, their preparation and their use	CLARIANT INTERNATIONAL LTD (CH)	2015-06-09	—	—	US	disclosed
US-20130019415-A1	DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE	DYSTAR COLOURS DEUTSCHLAND GMBH (DE)	2013-01-24	—	—	US	disclosed