SCHEMBL24669232

CC(C)(C)OC(=O)N=C(NCc1ccc(NC(=O)c2cc(C3=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cs2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NAMPT	P43490	14/20	0.39

▸	WNT3A	P56704	1/20	0.35

▸	KIT	P10721	2/20	0.35

▸	HDAC1	Q13547	1/20	0.34

▸	HDAC6	Q9UBN7	1/20	0.34

▸	LEF1	Q9UJU2	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	TDP1	Q9NUW8	1/20	0.34

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
SCHEMBL29803669	1.00	NAMPT (0.39)	NAMPTWNT3AKITHDAC1HDAC6
SCHEMBL24670448	0.93	NAMPT (0.40)	NAMPTWNT3ALEF1
SCHEMBL29803216	0.93	NAMPT (0.40)	NAMPTWNT3ALEF1
SCHEMBL29803257	0.92	NAMPT (0.46)	NAMPTWNT3ALEF1
SCHEMBL24669922	0.92	NAMPT (0.46)	NAMPTWNT3ALEF1
SCHEMBL29803791	0.90	NAMPT (0.38)	NAMPTWNT3AKITLEF1
SCHEMBL24671548	0.88	NAMPT (0.39)	NAMPTWNT3AKITHDAC1HDAC6
SCHEMBL24669388	0.88	NAMPT (0.44)	NAMPTWNT3AHDAC1HDAC6MAPT
SCHEMBL24669386	0.88	NAMPT (0.44)	NAMPTWNT3AHDAC1HDAC6MAPT
SCHEMBL30182331	0.88	NAMPT (0.44)	NAMPTWNT3AHDAC1HDAC6MAPT

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-2022192162-A1	NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE	FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US)	2022-09-15	—	—	WO	disclosed