SCHEMBL5313375

CC(C)(NCC(Cn1ccnc1[N+](=O)[O-])ONC(C)(C)/C(CCn1ccnc1[N+](=O)[O-])=N/O)/C(CCn1ccnc1[N+](=O)[O-])=N/O

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	1/20	0.39

▸	CA12	O43570	2/20	0.36

▸	CA1	P00915	2/20	0.36

▸	CA2	P00918	2/20	0.36

▸	CA9	Q16790	2/20	0.36

▸	LMNA	P02545	1/20	0.34

▸	THRB	P10828	1/20	0.34

▸	CYP2C19	P33261	1/20	0.34

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2D6	P10635	1/20	0.32

▸	OPRK1	P41145	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
SCHEMBL5313382	1.00	KMT2A (0.39)	KMT2ACA12CA1CA2CA9
SCHEMBL5310250	0.94	KMT2A (0.36)	KMT2ACA12CA1CA2CA9
SCHEMBL5310257	0.94	KMT2A (0.36)	KMT2ACA12CA1CA2CA9
SCHEMBL5315303	0.91	KMT2A (0.41)	KMT2ACA12CA1CA2CA9
SCHEMBL5315311	0.91	KMT2A (0.41)	KMT2ACA12CA1CA2CA9
SCHEMBL5311387	0.89	KMT2A (0.37)	KMT2ACA12CA1CA2CA9
SCHEMBL5311380	0.89	KMT2A (0.37)	KMT2ACA12CA1CA2CA9
SCHEMBL5311394	0.88	CA12 (0.34)	KMT2ACA12CA1CA2CA9
SCHEMBL5312475	0.86	KMT2A (0.41)	KMT2ACA12CA1CA2CA9
SCHEMBL8597337	0.86	KMT2A (0.38)	KMT2ACA12CA1CA2CA9

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
EP-0629617-B2	Heteroatom-bearing ligands and metal complexes thereof	BRACCO INT BV (NL)	2007-09-26	—	—	EP	claimed
EP-0629617-B1	Heteroatom-bearing ligands and metal complexes thereof	BRACCO INT BV (NL)	1998-04-29	—	—	EP	claimed