SCHEMBL4198130

CCCCc1ccc(CNC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NC(C)c4ccc(C(F)(F)F)cc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(C(C)C)cc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(C)cc4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCc4ccc(CC(C)C)cc4)CC3)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	2/20	0.40

▸	MEN1	O00255	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.37

▸	CCR2	P41597	7/20	0.36

▸	PKM	P14618	1/20	0.34

▸	ALDH1A1	P00352	2/20	0.33

▸	POLB	P06746	2/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	HSD17B10	Q99714	1/20	0.33

▸	MAPK9	P45984	1/20	0.33

▸	MAPK10	P53779	1/20	0.33

▸	NPC1	O15118	1/20	0.32

▸	APOBEC3A	P31941	1/20	0.32

▸	APOBEC3G	Q9HC16	1/20	0.32

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
SCHEMBL3479848	0.85	KMT2A (0.50)	KMT2AMEN1L3MBTL1CCR2PKM
SCHEMBL3479932	0.83	KMT2A (0.52)	KMT2AMEN1L3MBTL1PKMALDH1A1
SCHEMBL3479972	0.83	KMT2A (0.52)	KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3480172	0.82	KMT2A (0.51)	KMT2AMEN1L3MBTL1PKMALDH1A1
SCHEMBL3479813	0.82	KMT2A (0.51)	KMT2AMEN1L3MBTL1PKMALDH1A1
SCHEMBL7147077	0.81	KMT2A (0.49)	KMT2AMEN1L3MBTL1CCR2PKM
SCHEMBL4965614	0.81	KMT2A (0.49)	KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479872	0.81	KMT2A (0.51)	KMT2AMEN1L3MBTL1PKMALDH1A1
SCHEMBL3480254	0.81	KMT2A (0.55)	KMT2AMEN1L3MBTL1PKMALDH1A1
SCHEMBL7146589	0.80	KMT2A (0.50)	KMT2AMEN1L3MBTL1CCR2PKM

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-2026802-A2	JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES	Laboratoires Serono SA (CH)	2009-02-25	—	—	EP	disclosed
WO-2007141224-A2	JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES	LABORATOIRES SERONO SA (CH)	2007-12-13	—	—	WO	disclosed