SCHEMBL7188561

Cc1cc(OC(CCON=C(N)NOCCC(Oc2cc(C)cc(OS(=O)(=O)c3ccccc3S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	15/20	0.39

▸	LMNA	P02545	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	PRSS2	P07478	2/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	TDP1	Q9NUW8	1/20	0.34

▸	F10	P00742	1/20	0.34

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
SCHEMBL6888570	0.91	F2 (0.42)	F2LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL6884087	0.91	F2 (0.39)	F2PRSS2ALDH1A1F10
SCHEMBL6890202	0.90	F2 (0.39)	F2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6888650	0.84	F2 (0.39)	F2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7931217	0.83	F2 (0.41)	F2LMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7650554	0.79	F2 (0.45)	F2LMNASMN1; SMN2PRSS2F10
SCHEMBL6888652	0.76	F2 (0.53)	F2PRSS2
SCHEMBL7931209	0.76	F2 (0.53)	F2PRSS2
SCHEMBL6890602	0.75	F2 (0.39)	F2PRSS2ALDH1A1F10
SCHEMBL6747829	0.75	F2 (0.69)	F2PRSS2

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-6638931-B1	Aminoguanidines and alkoxyguanidines as protease inhibitors	3-DIMENSIONAL PHARMACEUTICALS, INC.	2003-10-28	—	—	US	disclosed
US-6235778-B1	ANTICOAGULANTS	3-DIMENSIONAL PHARMACEUTICALS, INC.	2001-05-22	—	—	US	disclosed