SCHEMBL252984

CC(c1cc2ccc(F)cc2nc1Cc1ccccc1)N1C(=O)c2ccccc2C1=O.CCC(C)Cc1nc2cc(F)ccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	1/20	0.37

▸	ALDH1A1	P00352	3/20	0.34

▸	GAA	P10253	1/20	0.34

▸	CASR	P41180	2/20	0.32

▸	ALPL	P05186	1/20	0.31

▸	PLA2G2A	P14555	1/20	0.31

▸	NR3C2	P08235	1/20	0.31

▸	POLB	P06746	1/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

▸	LMNA	P02545	1/20	0.30

▸	TSHR	P16473	1/20	0.30

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
SCHEMBL249665	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL252834	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL253429	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL14860189	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL3414301	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL14859955	0.93	TDP1 (0.34)	TDP1ALDH1A1GAALMNA
SCHEMBL253948	0.92	TDP1 (0.40)	TDP1ALDH1A1GAACASRALPL
SCHEMBL253949	0.92	TDP1 (0.40)	TDP1ALDH1A1GAACASRALPL
SCHEMBL251261	0.84	TDP1 (0.36)	TDP1ALDH1A1GAANR3C2LMNA
SCHEMBL251262	0.84	TDP1 (0.36)	TDP1ALDH1A1GAANR3C2LMNA

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
EP-2588469-A1	HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY	Amgen Inc. (US)	2013-05-08	—	—	EP	disclosed
WO-2012003271-A1	HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY	AMGEN INC. (US)	2012-01-05	—	—	WO	disclosed