SCHEMBL19303076

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCC(=O)c2cc(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c6ccccc6-c6c(O)c(=O)c6=O)[C@@H](O)[C@H]5O)c4n3)ccc2-c2c(O)c(=O)c2=O)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	TRPM2	O94759	1/20	0.53

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
SCHEMBL19303053	0.88	TRPM2 (0.54)	TRPM2
SCHEMBL19302894	0.88	TRPM2 (0.68)	TRPM2
SCHEMBL19302909	0.87	HINT1 (0.56)	TRPM2
SCHEMBL20508954	0.81	TRPM2 (0.63)	TRPM2
SCHEMBL19303080	0.80	TRPM2 (0.47)	TRPM2
SCHEMBL19302814	0.79	—	—
SCHEMBL19303073	0.78	—	—
SCHEMBL19302688	0.78	HINT1 (0.46)	—
SCHEMBL19302689	0.78	HINT1 (0.44)	TRPM2
SCHEMBL19302683	0.77	TRPM2 (0.72)	TRPM2

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-2017059411-A9	INHIBITORS OF MENAQUINONE BIOSYNTHESIS	MEMORIAL SLOAN-KETTERING CANCER CENTER (US)	2017-08-31	—	—	WO	disclosed