Ammonia Solution, Strong

SCHEMBL8587136

CC1CCN(c2nccc(-c3ccc(OC(C)C)c(C(C)(C)C)c3)n2)C1.N

nearest known ligand 0.48

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	DYRK1A	Q13627	3/20	0.43

▸	DKK1	O94907	3/20	0.40

▸	KMO	O15229	1/20	0.39

▸	ACACB	O00763	1/20	0.36

▸	SORD	Q00796	1/20	0.34

▸	TTK	P33981	1/20	0.34

▸	HSD17B10	Q99714	2/20	0.33

▸	ALDH1A1	P00352	2/20	0.33

▸	ACHE	P22303	1/20	0.33

▸	MAPK1	P28482	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	KDM4E	B2RXH2	1/20	0.33

▸	MAP3K12	Q12852	1/20	0.33

▸	RBP4	P02753	1/20	0.33

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
SCHEMBL8515838	0.89	DKK1 (0.49)	DYRK1ADKK1KMO
SCHEMBL8510671	0.87	DKK1 (0.44)	DKK1KMOSORD
SCHEMBL8512439	0.86	DKK1 (0.56)	DYRK1ADKK1KMOSORD
SCHEMBL8587138	0.86	DKK1 (0.52)	DKK1KMORBP4
SCHEMBL8510739	0.86	ZAP70 (0.41)	DKK1KMO
SCHEMBL8510734	0.86	ZAP70 (0.41)	DKK1KMO
Hydrochloric Acid SCHEMBL8513412	0.85	DKK1 (0.55)	DYRK1ADKK1KMOSORD
SCHEMBL8510840	0.84	KMO (0.43)	DKK1KMOSORDHSD17B10ALDH1A1
SCHEMBL8511678	0.84	DKK1 (0.58)	DKK1KMOSORDACHERBP4
SCHEMBL8514794	0.84	DKK1 (0.41)	DKK1KMOACACBSORDTTK

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-2012069852-A1	PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE	ALMAC DISCOVERY LIMITED (GB)	2012-05-31	—	—	WO	disclosed