SCHEMBL4968951

SCHEMBL4968951

CCCCCCCNC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1.CCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM1 P11229 2/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL3479906 1.00 KMT2A (0.51) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3480097 1.00 KMT2A (0.51) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3480058 1.00 KMT2A (0.51) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3480164 1.00 KMT2A (0.51) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3480208 0.99 KMT2A (0.52) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3479903 0.97 KMT2A (0.53) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3480103 0.97 KMT2A (0.54) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3479815 0.97 KMT2A (0.54) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL4972278 0.97 KMT2A (0.54) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL3479695 0.97 KMT2A (0.54) KMT2AMEN1PKMGAAALDH1A1

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-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed