SCHEMBL9878441

O=C(N=C(NCCSSCCNC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	HTT	P42858	2/20	0.43

▸	RAB9A	P51151	1/20	0.43

▸	TGM2	P21980	1/20	0.42

▸	DPP8	Q6V1X1	1/20	0.42

▸	DPP9	Q86TI2	1/20	0.42

▸	ALDH1A1	P00352	2/20	0.41

▸	MAPT	P10636	1/20	0.41

▸	POLB	P06746	1/20	0.41

▸	SMN1; SMN2	Q16637	1/20	0.41

▸	GAA	P10253	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.40

▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	IDO1	P14902	1/20	0.39

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
SCHEMBL9878075	0.84	DPP8 (0.54)	HTTRAB9ATGM2DPP8DPP9
SCHEMBL3591284	0.79	L3MBTL1 (0.44)	HTTRAB9AALDH1A1MAPTGAA
SCHEMBL3591287	0.79	L3MBTL1 (0.44)	HTTRAB9AALDH1A1MAPTGAA
SCHEMBL9878619	0.79	RAB9A (0.45)	HTTRAB9ATGM2DPP8DPP9
SCHEMBL11099186	0.78	DPP8 (0.56)	HTTRAB9ATGM2DPP8DPP9
SCHEMBL9878052	0.77	ALDH1A1 (0.43)	HTTRAB9AALDH1A1MAPTPOLB
SCHEMBL8447184	0.77	MAPT (0.38)	HTTRAB9ADPP8DPP9ALDH1A1
SCHEMBL8447185	0.77	MAPT (0.38)	HTTRAB9ADPP8DPP9ALDH1A1
SCHEMBL7456303	0.76	DPP8 (0.44)	HTTTGM2DPP8DPP9ALDH1A1
SCHEMBL10500161	0.76	DPP8 (0.58)	HTTRAB9ATGM2DPP8DPP9

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-4992542-A	Thienamycin antibiotics	MERCK & CO., INC. (US)	1991-02-12	—	—	US	disclosed