SCHEMBL7253124

CC(C)(C)c1cc(C(=O)Nc2ccn[nH]2)cc(C(C)(C)C)c1O.Cc1cc(C(=O)Nc2ccn[nH]2)cc(C)c1O.Cc1cc(C(=O)Nc2ccnn2C)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	HPGDS	O60760	2/20	0.39

▸	MAPK14	Q16539	6/20	0.38

▸	LCK	P06239	1/20	0.38

▸	SIRT2	Q8IXJ6	1/20	0.35

▸	PKM	P14618	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	PYGM	P11217	1/20	0.34

▸	MTOR	P42345	3/20	0.34

▸	PIK3CA	P42336	2/20	0.34

▸	MAPK8	P45983	1/20	0.33

▸	MAPK10	P53779	1/20	0.33

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
SCHEMBL3892753	0.84	HPGDS (0.49)	HPGDSMAPK14LCKKMT2AMAPK8
SCHEMBL3896128	0.83	HPGDS (0.48)	HPGDSMAPK14SIRT2PKMPYGM
SCHEMBL3892152	0.81	HPGDS (0.49)	HPGDSMAPK14LCKKMT2AMAPK8
SCHEMBL3889831	0.80	SIRT2 (0.49)	HPGDSMAPK14LCKSIRT2PKM
SCHEMBL7256849	0.74	MAOB (0.36)	PKM
SCHEMBL3893050	0.69	POLB (0.43)	KMT2A
SCHEMBL7258412	0.67	POLB (0.36)	—
SCHEMBL3891427	0.67	PTGS1 (0.43)	PKMKMT2A
SCHEMBL3894279	0.67	ALOX5 (0.46)	KMT2A
SCHEMBL14098958	0.66	MTOR (0.46)	HPGDSMAPK14SIRT2PKMPYGM

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
WO-2003010143-A1	DIALKYLHYDROXYBENZOIC ACID DERIVATIVES CONTAINING METAL CHELATING GROUPS AND THEIR THERAPEUTIC USES	SAMSUNG ELECTRONICS CO., LTD. (KR)	2003-02-06	—	—	WO	disclosed