SCHEMBL24139999 — predicted protein targets

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NOS3	P29474	2/20	0.33

▸	NOS2	P35228	2/20	0.33

▸	CCR1	P32246	1/20	0.33

▸	CCR5	P51681	1/20	0.33

▸	CCR8	P51685	1/20	0.33

▸	NOS1	P29475	1/20	0.33

▸	CYP1A2	P05177	1/20	0.31

▸	SMN1; SMN2	Q16637	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
SCHEMBL29384905	0.74	NOS3 (0.48)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL873234	0.74	NOS3 (0.48)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL20321338	0.72	NOS3 (0.41)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL25555490	0.72	NOS3 (0.33)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL20321254	0.72	NOS3 (0.33)	NOS3NOS2NOS1
SCHEMBL14100577	0.71	NOS3 (0.56)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL17887300	0.71	NOS3 (0.45)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL4132951	0.71	NOS3 (0.35)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL24925495	0.71	KDM4E (0.40)	NOS3NOS2CCR1CCR5CCR8
SCHEMBL14100526	0.71	KDM4E (0.36)	NOS3NOS2CCR1CCR5CCR8

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-2710018-B1	MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS	FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES)	2021-12-29	—	—	EP	disclosed