SCHEMBL16604359

Cc1ccncc1-c1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PLG	P00747	9/20	0.58

▸	F11	P03951	8/20	0.58

▸	KMT2A	Q03164	3/20	0.43

▸	ATM	Q13315	2/20	0.43

▸	MEN1	O00255	2/20	0.43

▸	KLKB1	P03952	5/20	0.42

▸	PLAU	P00749	1/20	0.39

▸	MME	P08473	1/20	0.39

▸	MAPK14	Q16539	1/20	0.38

▸	PRSS1	P07477	1/20	0.38

▸	PRSS2	P07478	1/20	0.38

▸	PRSS3	P35030	1/20	0.38

▸	PTPN1	P18031	1/20	0.37

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
SCHEMBL16604355	0.93	F11 (0.56)	PLGF11KMT2AATMMEN1
SCHEMBL16604401	0.92	F11 (0.56)	PLGF11KMT2AATMMEN1
SCHEMBL16604375	0.92	F11 (0.56)	PLGF11KMT2AATMMEN1
SCHEMBL16604396	0.91	F11 (0.61)	PLGF11KMT2AATMMEN1
SCHEMBL17983571	0.90	F11 (0.58)	PLGF11KMT2AATMMEN1
SCHEMBL16609622	0.90	F11 (0.58)	PLGF11KMT2AATMMEN1
SCHEMBL16609790	0.89	PLG (0.59)	PLGF11KMT2AATMMEN1
SCHEMBL17983550	0.89	PLG (0.59)	PLGF11KMT2AATMMEN1
SCHEMBL16604397	0.89	PLG (0.61)	PLGF11KMT2AATMMEN1
SCHEMBL16609334	0.88	F11 (0.58)	PLGF11KMT2AATMMEN1

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-2015044172-A1	SUBSTITUTED PHENYLALANINE DERIVATIVES	BAYER PHARMA AKTIENGESELLSCHAFT (DE)	2015-04-02	—	—	WO	disclosed