SCHEMBL4196539

SCHEMBL4196539

CCCOCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1.CCOC(CCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1)OCC.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCC45CC6CC(CC(C6)C4)C5)CC3)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CHRM1 P11229 2/20 0.39
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MCHR1 Q99705 1/20 0.34
CNR1 P21554 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3480007 0.88 KMT2A (0.54) KMT2AMEN1CHRM1PKML3MBTL1
SCHEMBL3480261 0.87 KMT2A (0.51) KMT2AMEN1PKMGAAL3MBTL1
SCHEMBL3480159 0.86 KMT2A (0.53) KMT2AMEN1CHRM1PKMGAA
SCHEMBL3479792 0.85 KMT2A (0.48) KMT2AMEN1PKMGAANPC1
SCHEMBL3479892 0.84 KMT2A (0.48) KMT2AMEN1CHRM1PKML3MBTL1
SCHEMBL3479857 0.84 KMT2A (0.51) KMT2AMEN1CHRM1PKMGAA
SCHEMBL3480206 0.84 KMT2A (0.50) KMT2AMEN1CHRM1PKMGAA
SCHEMBL3479913 0.79 KMT2A (0.55) KMT2AMEN1CHRM1PKMGAA
SCHEMBL3479818 0.78 KMT2A (0.55) KMT2AMEN1CHRM1PKMGAA
SCHEMBL3480438 0.78 KMT2A (0.54) KMT2AMEN1CHRM1PKMGAA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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