SCHEMBL19983496

Cc1cn([C@@H]2CC(N=[N+]=[N-])[C@H](COC(=O)CCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)CC3F)O2)c(=O)[nH]c1=O

nearest known ligand 0.82

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ABCG2	Q9UNQ0	3/20	0.82

▸	ABCB1	P08183	1/20	0.82

▸	TK1	P04183	6/20	0.67

▸	LMNA	P02545	2/20	0.67

▸	TSHR	P16473	2/20	0.67

▸	ALB	P02768	1/20	0.67

▸	PKM	P14618	1/20	0.67

▸	BLM	P54132	1/20	0.67

▸	PMP22	Q01453	1/20	0.67

▸	CYP2D6	P10635	1/20	0.67

▸	POLB	P06746	1/20	0.63

▸	POLA1	P09884	1/20	0.63

▸	POLD1	P28340	1/20	0.63

▸	BCHE	P06276	1/20	0.54

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
SCHEMBL28898454	0.95	ABCG2 (0.91)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL28454169	0.91	ABCG2 (0.85)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL14598130	0.91	ABCG2 (0.85)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL19983669	0.91	ABCG2 (0.85)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL28445736	0.91	ABCG2 (0.98)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL28456159	0.91	ABCG2 (0.95)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL13609904	0.91	ABCG2 (0.81)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL19983719	0.89	ABCG2 (0.64)	ABCG2ABCB1TK1
SCHEMBL13781383	0.88	ABCG2 (0.89)	ABCG2ABCB1TK1LMNATSHR
SCHEMBL13781428	0.88	ABCG2 (0.89)	ABCG2ABCB1TK1LMNATSHR

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
EP-2175863-B1	SUBSTITUTED NUCLEOSIDE DERIVATIVES WITH ANTIVIRAL AND ANTIMICROBIAL PROPERTIES	EASTERN VIRGINIA MEDICAL SCHOOL (US)	2018-03-21	—	—	EP	disclosed