SCHEMBL4189846

SCHEMBL4189846

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCN4CCCCC4)CC3)s2)c1.COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCc4ccccn4)CC3)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
DRD4 P21917 1/20 0.46
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL3479940 0.94 KMT2A (0.51) MEN1KMT2ADRD4GAATSHR
SCHEMBL3480044 0.93 KMT2A (0.48) MEN1KMT2AGAATSHRL3MBTL1
SCHEMBL3479873 0.91 KMT2A (0.51) MEN1KMT2ADRD4GAATSHR
SCHEMBL3480012 0.90 MEN1 (0.48) MEN1KMT2ADRD4GAAL3MBTL1
SCHEMBL3480243 0.89 KMT2A (0.49) MEN1KMT2AGAATSHRCYP2C9
SCHEMBL3480003 0.88 KMT2A (0.53) MEN1KMT2AGAATSHRL3MBTL1
SCHEMBL3480121 0.87 MEN1 (0.48) MEN1KMT2ADRD4TSHRL3MBTL1
SCHEMBL3479921 0.82 KMT2A (0.55) MEN1KMT2AGAAL3MBTL1NPC1
SCHEMBL3479992 0.81 KMT2A (0.51) MEN1KMT2AGAATSHRL3MBTL1
SCHEMBL3479854 0.81 KMT2A (0.53) MEN1KMT2AL3MBTL1NPC1

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