SCHEMBL4969858

SCHEMBL4969858

O=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2425741 0.89 MAPK9 (0.59) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL2423768 0.89 MAPK9 (0.60) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL2423811 0.84 MEN1 (0.68) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL2426036 0.84 MAPK9 (0.64) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL7896117 0.83 ALDH1A1 (0.58) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL2422491 0.80 MAPT (0.58) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL7893021 0.80 MAPK9 (0.59) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL7453441 0.80 MAPK9 (0.49) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL1518770 0.79 MAPK9 (0.55) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL7894679 0.79 MAPK9 (0.54) MAPK9MAPK10KMT2AMEN1ALDH1A1

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 4 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
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed