SCHEMBL19388574

CC1(C(NC(=O)C(C)(C)C(C)(C)O)c2nc3ccc(C#Cc4ccc5nc([C@@H](NC(=O)C(C)(C)C(C)(C)O)C6(C)CC6)[nH]c5c4)cc3[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	SCN10A	Q9Y5Y9	6/20	0.35

▸	USP2	O75604	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	PDE2A	O00408	2/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	CFB	P00751	3/20	0.34

▸	CSNK1A1	P48729	1/20	0.34

▸	CSNK1D	P48730	1/20	0.34

▸	GSK3B	P49841	1/20	0.34

▸	CSNK1G2	P78368	1/20	0.34

▸	AAK1	Q2M2I8	1/20	0.33

▸	TRPV1	Q8NER1	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
SCHEMBL15116840	1.00	SCN10A (0.35)	SCN10AUSP2ALDH1A1HPGDHTT
SCHEMBL17192917	0.93	SCN10A (0.32)	SCN10AUSP2ALDH1A1HPGDHTT
SCHEMBL15116837	0.84	AAK1 (0.46)	SCN10AUSP2ALDH1A1HPGDHTT
SCHEMBL17192925	0.78	AAK1 (0.43)	SCN10APDE2ACFBAAK1
SCHEMBL15116864	0.78	TSHR (0.38)	SCN10AUSP2PDE2ACYP1A2GSK3B
SCHEMBL19388648	0.72	TSHR (0.34)	SCN10APDE2AGSK3B
SCHEMBL17192926	0.72	TSHR (0.34)	SCN10APDE2AGSK3B
SCHEMBL15116843	0.72	SCN10A (0.46)	SCN10AUSP2ALDH1A1HPGDHTT
SCHEMBL20221297	0.71	SMN1; SMN2 (0.48)	ALDH1A1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL20054482	0.71	AAK1 (0.46)	SCN10APDE2AAAK1

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-9770439-B2	Hepatitis C virus inhibitors	BRISTOL-MYERS SQUIBB COMPANY (US)	2017-09-26	—	—	US	disclosed