SCHEMBL19983263

COC(CCn1cc(C#CCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)c2c(N)ncnc21)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	PLCD1	P51178	1/20	0.43

▸	TDP1	Q9NUW8	1/20	0.42

▸	RNF168	Q8IYW5	1/20	0.40

▸	F2	P00734	1/20	0.39

▸	PRSS1	P07477	1/20	0.39

▸	PRSS2	P07478	1/20	0.39

▸	PRSS3	P35030	1/20	0.39

▸	TPSAB1	Q15661	1/20	0.39

▸	SENP1	Q9P0U3	1/20	0.38

▸	CNR2	P34972	2/20	0.38

▸	ADORA2A	P29274	1/20	0.38

▸	ADORA2B	P29275	1/20	0.38

▸	HLCS	P50747	3/20	0.38

▸	CNR1	P21554	2/20	0.38

▸	BTK	Q06187	1/20	0.38

▸	LCK	P06239	2/20	0.37

▸	SLC6A3	Q01959	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
SCHEMBL29592014	0.82	PLCD1 (0.44)	PLCD1TDP1F2PRSS1PRSS2
SCHEMBL19982838	0.81	HLCS (0.49)	PLCD1F2HLCS
SCHEMBL22192980	0.81	HLCS (0.46)	PLCD1TDP1F2PRSS1PRSS2
SCHEMBL22192982	0.81	PLCD1 (0.46)	PLCD1TDP1RNF168F2PRSS1
SCHEMBL21580557	0.76	LCK (0.51)	TDP1HLCSLCK
SCHEMBL22897369	0.76	HLCS (0.47)	PLCD1F2HLCS
SCHEMBL20133468	0.74	PLCD1 (0.43)	PLCD1TDP1RNF168F2PRSS1
SCHEMBL20130787	0.73	PLCD1 (0.48)	PLCD1TDP1RNF168F2PRSS1
SCHEMBL24795045	0.73	HLCS (0.37)	PLCD1HLCS
SCHEMBL30763662	0.73	PLCD1 (0.44)	PLCD1TDP1RNF168F2PRSS1

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-2018053362-A1	METHODS OF NUCLEIC ACID SAMPLE PREPARATION	ArcherDX, Inc. (US)	2018-03-22	—	—	WO	disclosed