SCHEMBL4968679

SCHEMBL4968679

CCCCNS(=O)(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(O)c(C4CCCCC4)c3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.37
HSD11B1 P28845 4/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
SLC9A3 P48764 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RECQL P46063 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2425330 0.91 MAPK9 (0.51) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4970353 0.89 MEN1 (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL2419191 0.88 MAPK9 (0.52) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4197299 0.88 MAPK9 (0.47) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL4198065 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL2423593 0.81 KMT2A (0.48) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1518747 0.80 MAPK9 (0.56) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL2424569 0.80 MAPK9 (0.56) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL2418429 0.79 MEN1 (0.46) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL5565272 0.79 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1

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