SCHEMBL20155062 — predicted protein targets

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK14	Q16539	6/20	0.39

▸	BRD4	O60885	6/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	PTGS2	P35354	1/20	0.34

▸	HSD17B10	Q99714	2/20	0.33

▸	SOS1	Q07889	1/20	0.33

▸	TSHR	P16473	1/20	0.32

▸	MAP2K2	P36507	1/20	0.31

▸	MAP2K1	Q02750	1/20	0.31

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

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
SCHEMBL20155727	0.89	NUDT1 (0.34)	MAPK14BRD4TSHRMAP2K2MAP2K1
SCHEMBL20155508	0.89	BRD4 (0.32)	MAPK14BRD4
SCHEMBL20155138	0.87	MAPK14 (0.36)	MAPK14BRD4ALDH1A1PTGS2HSD17B10
SCHEMBL20155590	0.87	MAPK14 (0.36)	MAPK14BRD4ALDH1A1PTGS2HSD17B10
SCHEMBL20155748	0.84	MAPK14 (0.34)	MAPK14BRD4HSD17B10MEN1KMT2A
SCHEMBL20155483	0.83	MAPK14 (0.37)	MAPK14BRD4ALDH1A1PTGS2MEN1
SCHEMBL20155635	0.82	MAPK14 (0.33)	MAPK14BRD4HSD17B10MAP2K2MAP2K1
SCHEMBL20155534	0.81	BRD4 (0.36)	MAPK14BRD4ALDH1A1PTGS2HSD17B10
SCHEMBL20155632	0.79	BPTF (0.37)	BRD4ALDH1A1MEN1KMT2A
SCHEMBL20155186	0.78	TDO2 (0.31)	—

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-2018086604-A1	NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF	山东罗欣药业集团股份有限公司	2018-05-17	—	—	WO	disclosed