SCHEMBL4190702

CCCCC(CC)CNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)C1.CCCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.CCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.CCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)C1.CCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.CCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCC(NCCC3CCCCC3)C2)s1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	MAPK9	P45984	1/20	0.39

▸	MAPK10	P53779	1/20	0.39

▸	DRD4	P21917	3/20	0.35

▸	DRD2	P14416	2/20	0.35

▸	CHRM1	P11229	2/20	0.33

▸	ALDH1A1	P00352	2/20	0.33

▸	GAA	P10253	1/20	0.33

▸	PKM	P14618	1/20	0.33

▸	MCHR1	Q99705	1/20	0.33

▸	CTSS	P25774	1/20	0.33

▸	LMNA	P02545	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	HPGD	P15428	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	HSD17B10	Q99714	1/20	0.33

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
SCHEMBL7702246	0.89	MEN1 (0.48)	MEN1KMT2AMAPK9MAPK10DRD4
SCHEMBL4197945	0.87	MEN1 (0.40)	MEN1KMT2AMAPK9MAPK10DRD4
SCHEMBL3479746	0.87	KMT2A (0.48)	MEN1KMT2ACHRM1ALDH1A1GAA
SCHEMBL4968163	0.85	KMT2A (0.51)	MEN1KMT2AMAPK9MAPK10DRD4
SCHEMBL3479834	0.85	KMT2A (0.48)	MEN1KMT2ACHRM1ALDH1A1PKM
SCHEMBL3479719	0.84	KMT2A (0.51)	MEN1KMT2ACHRM1ALDH1A1GAA
SCHEMBL3479713	0.84	KMT2A (0.51)	MEN1KMT2ACHRM1ALDH1A1GAA
SCHEMBL3480719	0.84	KMT2A (0.51)	MEN1KMT2ACHRM1ALDH1A1GAA
SCHEMBL3480001	0.84	KMT2A (0.51)	MEN1KMT2ACHRM1ALDH1A1GAA
SCHEMBL4970283	0.84	MEN1 (0.49)	MEN1KMT2AMAPK9MAPK10DRD4

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