SCHEMBL29484025

CCOc1cccc(F)c1C#Cc1cn([C@@H]2C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	7/20	1.00

▸	NAE1	Q13564	3/20	0.73

▸	UBA3	Q8TBC4	2/20	0.73

▸	UBA1	P22314	1/20	0.73

▸	SAE1	Q9UBE0	1/20	0.73

▸	UBA2	Q9UBT2	1/20	0.73

▸	METTL3	Q86U44	6/20	0.36

▸	MTOR	P42345	1/20	0.36

▸	RAB9A	P51151	1/20	0.36

▸	RNMT	O43148	1/20	0.36

▸	PRMT5	O14744	1/20	0.36

▸	AHCY	P23526	1/20	0.36

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
SCHEMBL18297454	1.00	CA2 (1.00)	CA2NAE1UBA3UBA1SAE1
Hydrochloric Acid SCHEMBL18577868	0.99	CA2 (0.99)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297455	0.94	CA2 (0.88)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297615	0.92	CA2 (0.85)	CA2NAE1UBA3UBA1SAE1
SCHEMBL20608763	0.90	CA2 (0.82)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297532	0.89	CA2 (0.81)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297462	0.88	CA2 (0.79)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297642	0.88	CA2 (0.79)	CA2NAE1UBA3UBA1SAE1
SCHEMBL18297476	0.88	CA2 (0.78)	CA2NAE1UBA3UBA1SAE1
SCHEMBL29484009	0.88	CA2 (0.78)	CA2NAE1UBA3UBA1SAE1

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-2022056252-A1	COMPOSITIONS AND METHODS FOR TREATING HYPERGLYCEMIA IN TYPE-2 DIABETES	THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US)	2022-03-17	—	—	WO	disclosed