SCHEMBL7992690

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA1	P30542	2/20	0.43

▸	LMNA	P02545	1/20	0.33

▸	PRMT5	O14744	1/20	0.32

▸	WDR77	Q9BQA1	1/20	0.32

▸	NR1D1	P20393	1/20	0.31

▸	MEN1	O00255	1/20	0.30

▸	HTT	P42858	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	ALDH1A1	P00352	1/20	0.30

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
SCHEMBL7989195	0.93	ADORA1 (0.39)	ADORA1PRMT5WDR77NR1D1
SCHEMBL7975424	0.89	ITGB3 (0.40)	ADORA1LMNAPRMT5WDR77MEN1
SCHEMBL7989036	0.89	ADORA1 (0.35)	ADORA1LMNAPRMT5WDR77NR1D1
SCHEMBL7986790	0.85	ITGB3 (0.44)	ADORA1
SCHEMBL7985759	0.83	ADORA1 (0.39)	ADORA1LMNAPRMT5WDR77MEN1
SCHEMBL7992152	0.82	ITGB3 (0.40)	ADORA1PRMT5WDR77KMT2A
SCHEMBL7986216	0.82	ADORA1 (0.33)	ADORA1LMNAPRMT5WDR77ALDH1A1
SCHEMBL7986751	0.82	ITGB3 (0.44)	ADORA1PRMT5WDR77KMT2A
Trifluoroacetic Acid SCHEMBL7986768	0.82	ITGB3 (0.41)	ADORA1LMNAPRMT5WDR77MEN1
SCHEMBL7986784	0.81	ITGB3 (0.37)	ADORA1PRMT5WDR77NR1D1

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
US-6265418-B1	ANTICOAGULANTS	UBE INDUSTRIES, LTD. (JP)	2001-07-24	—	—	US	disclosed
EP-1020467-A1	N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF	UBE INDUSTRIES LIMITED (JP)	2000-07-19	—	—	EP	disclosed