SCHEMBL4558167

CCc1nn(C)c2cc(-c3ccnn3-c3ccc(C(=O)O)cc3)ccc12.CCc1nn(C)c2cc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12.CCc1nn(C)c2cc(-c3ccnn3-c3ccc(S(N)(=O)=O)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KDM5A	P29375	2/20	0.45

▸	KDM4C	Q9H3R0	2/20	0.45

▸	KDM5B	Q9UGL1	2/20	0.45

▸	PTGS2	P35354	7/20	0.44

▸	RARA	P10276	5/20	0.42

▸	RARB	P10826	5/20	0.42

▸	RARG	P13631	5/20	0.42

▸	RXRA	P19793	5/20	0.42

▸	CA12	O43570	2/20	0.40

▸	CA9	Q16790	2/20	0.40

▸	CHRNA7	P36544	2/20	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
SCHEMBL3599265	0.90	PTGS2 (0.44)	PTGS2CA12CA9CHRNA7
SCHEMBL3602376	0.89	PTGS2 (0.41)	KDM5AKDM4CKDM5BPTGS2
SCHEMBL3606919	0.89	RARG (0.44)	KDM5AKDM4CKDM5BRARG
SCHEMBL27721970	0.82	KDM5A (0.45)	KDM5AKDM4CKDM5BPTGS2RARA
SCHEMBL3604982	0.79	PTGS2 (0.41)	KDM5AKDM4CKDM5BPTGS2
SCHEMBL4558438	0.78	CA9 (0.43)	PTGS2CA12CA9CHRNA7
SCHEMBL8268988	0.77	KHK (0.41)	—
SCHEMBL3596784	0.77	PIK3CD (0.41)	KDM5AKDM4CKDM5BPTGS2
SCHEMBL3604266	0.77	KDM5A (0.40)	KDM5AKDM4CKDM5BPTGS2
SCHEMBL8268991	0.77	KDM5A (0.39)	KDM5AKDM4CKDM5BPTGS2

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-2009067607-A2	COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS	MEMORY PHARMACEUTICALS CORPORATION (US)	2009-05-28	—	—	WO	disclosed