SCHEMBL4969645

SCHEMBL4969645

COc1cc(OC)cc(N2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc(Cl)cc4)s3)CC2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCN(CC3CCCCC3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.41
RECQL P46063 2/20 0.41
APEX1 P27695 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR1A P08908 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
SCHEMBL2426378 0.90 MAPK9 (0.53) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL3479855 0.89 MAPK9 (0.57) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL6021897 0.87 DRD2 (0.54) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL2421105 0.83 MAPK9 (0.53) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL2425801 0.81 NPC1 (0.51) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL7894066 0.80 MAPK9 (0.51) MAPK9MAPK10KMT2AMEN1ALDH1A1
SCHEMBL2423054 0.80 MAPK9 (0.59) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL7704876 0.79 ALDH1A1 (0.57) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL2421831 0.77 MAPK9 (0.55) MAPK9MAPK10KMT2AMEN1BCL2
SCHEMBL2423073 0.77 MAPK9 (0.55) MAPK9MAPK10KMT2AMEN1BCL2

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