SCHEMBL4192280

SCHEMBL4192280

CCC(NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1)c1ccc(C(F)(F)F)cc1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NC(C)(C)c4ccc(C(F)(F)F)cc4)CC3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CCR2 P41597 3/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3479782 0.96 KMT2A (0.51) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479904 0.92 KMT2A (0.53) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479848 0.88 KMT2A (0.50) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL4965617 0.85 KMT2A (0.49) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL5567876 0.85 L3MBTL1 (0.44) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL4965614 0.84 KMT2A (0.49) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479972 0.83 KMT2A (0.52) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL4966694 0.83 MAPK9 (0.52) KMT2AMEN1ALDH1A1MAPK9MAPK10
SCHEMBL7146589 0.81 KMT2A (0.50) KMT2AMEN1CCR2PKMALDH1A1
SCHEMBL3479998 0.80 KMT2A (0.50) KMT2AMEN1CCR2PKMALDH1A1

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