SCHEMBL7207746

Cc1ccc(S(=O)(=O)NCCCCN(CCCN(CCCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	1/20	0.64

▸	CA2	P00918	1/20	0.64

▸	CA9	Q16790	1/20	0.64

▸	ALOX15	P16050	1/20	0.62

▸	ALDH1A1	P00352	14/20	0.60

▸	HTT	P42858	1/20	0.59

▸	LMNA	P02545	2/20	0.54

▸	MEN1	O00255	1/20	0.53

▸	KMT2A	Q03164	1/20	0.53

▸	MBTD1	Q05BQ5	1/20	0.51

▸	L3MBTL1	Q9Y468	1/20	0.51

▸	NPSR1	Q6W5P4	1/20	0.51

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
SCHEMBL7095728	0.98	CA12 (0.66)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7094977	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7097556	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7205364	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7097820	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7095475	0.97	CA12 (0.68)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7203875	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7092423	0.97	CA12 (0.64)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL7203889	0.95	CA12 (0.70)	CA12CA2CA9ALOX15ALDH1A1
SCHEMBL3905679	0.94	CA12 (0.72)	CA12CA2CA9ALOX15ALDH1A1

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-6605645-B2	Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action	RIKEN (JP)	2003-08-12	—	—	US	disclosed