Formic Acid

SCHEMBL5561851

COc1ccc(-c2ccc3[nH]nc(C(=O)N4C[C@@H]5C[C@H]4CN5C)c3c2)cc1.O=CO

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	PRKAG1	P54619	1/20	0.54

▸	PRKAA1	Q13131	1/20	0.54

▸	PRKAB1	Q9Y478	1/20	0.54

▸	GSK3B	P49841	14/20	0.49

▸	DYRK1A	Q13627	5/20	0.42

▸	CLK2	P49760	1/20	0.41

▸	ROCK1	Q13464	1/20	0.40

▸	RBP4	P02753	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
SCHEMBL5046474	0.96	PRKAG1 (0.58)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL5048444	0.96	PRKAG1 (0.58)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL1176665	0.96	PRKAG1 (0.58)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5556319	0.93	GSK3B (0.49)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5563457	0.90	DYRK1A (0.52)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5557042	0.89	DYRK1A (0.53)	GSK3BDYRK1A
SCHEMBL5044513	0.89	GSK3B (0.52)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
SCHEMBL1175931	0.89	GSK3B (0.52)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL1175804	0.88	GSK3B (0.52)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A
Formic Acid SCHEMBL5562459	0.87	GSK3B (0.41)	PRKAG1PRKAA1PRKAB1GSK3BDYRK1A

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-1697378-B1	INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF	MEMORY PHARM CORP (US)	2007-11-21	—	—	EP	claimed