SCHEMBL18239277

Cn1c(=O)c2cc3c(=O)n(-c4ccc(-c5cc(-c6ccc(-n7c(=O)c8cc9c(=O)n(C)c(=O)c9cc8c7=O)cc6)cc(-c6ccc(-n7c(=O)c8cc9c(=O)n(-c%10ccc(-c%11cc(-c%12ccc(-n%13c(=O)c%14cc%15c(=O)n(C)c(=O)c%15cc%14c%13=O)cc%12)cc(-c%12ccc(-n%13c(=O)c%14cc%15c(=O)n(-c%16ccc(-c%17cc(-c%18ccc(-n%19c(=O)c%20cc%21c(=O)n(C)c(=O)c%21cc%20c%19=O)cc%18)cc(-c%18ccc(-n%19c(=O)c%20cc%21c(=O)n(C)c(=O)c%21cc%20c%19=O)cc%18)c%17)cc%16)c(=O)c%15cc%14c%13=O)cc%12)c%11)cc%10)c(=O)c9cc8c7=O)cc6)c5)cc4)c(=O)c3cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	2/20	0.47

▸	CA1	P00915	2/20	0.47

▸	CA2	P00918	2/20	0.47

▸	CA9	Q16790	2/20	0.47

▸	MAPT	P10636	4/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	MAPK1	P28482	1/20	0.38

▸	PGR	P06401	1/20	0.38

▸	ESR1	P03372	1/20	0.36

▸	KDM4E	B2RXH2	2/20	0.35

▸	POLB	P06746	1/20	0.35

▸	GAA	P10253	1/20	0.35

▸	NPSR1	Q6W5P4	2/20	0.35

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	PDE10A	Q9Y233	1/20	0.34

▸	ALDH1A1	P00352	2/20	0.33

▸	PIK3CD	O00329	1/20	0.33

▸	PIK3CA	P42336	1/20	0.33

▸	PIK3CB	P42338	1/20	0.33

▸	MTOR	P42345	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
SCHEMBL20090848	0.92	CA12 (0.41)	CA12CA1CA2CA9MAPT
SCHEMBL760106	0.89	CA12 (0.45)	CA12CA1CA2CA9MAPT
SCHEMBL24046315	0.84	ALDH1A1 (0.49)	CA12CA1CA2CA9LMNA
SCHEMBL862493	0.83	CA12 (0.49)	CA12CA1CA2CA9MAPT
SCHEMBL862492	0.81	MAPK1 (0.61)	CA12CA1CA2CA9MAPT
SCHEMBL13411436	0.80	CA12 (0.46)	CA12CA1CA2CA9MAPT
SCHEMBL6675514	0.79	CA12 (0.65)	CA12CA1CA2CA9MAPT
SCHEMBL10154048	0.79	CA12 (0.45)	CA12CA1CA2CA9MAPT
SCHEMBL862788	0.79	CA12 (0.45)	CA12CA1CA2CA9MAPT
SCHEMBL17676354	0.76	MEN1 (0.52)	CA12CA1CA2CA9MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20180112039-A1	PROCESS FOR PRODUCING POLYIMIDES	TECHNISCHE UNIVERSITÄT WIEN (AT)	2018-04-26	—	—	US	disclosed
WO-2016179625-A1	PROCESS FOR PRODUCING POLYIMIDES	TECHNISCHE UNIVERSITÄT WIEN (AT)	2016-11-17	—	—	WO	disclosed