SCHEMBL4965751

SCHEMBL4965751

O=C(NCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
GFER P55789 2/20 0.53
BCL2 P10415 1/20 0.51
BCL2L1 Q07817 1/20 0.51
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
POLB P06746 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RECQL P46063 2/20 0.44
HTT P42858 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL2423853 0.93 MAPK9 (0.54) SMN1; SMN2GFERBCL2BCL2L1MAPK9
SCHEMBL2428129 0.91 MAPK9 (0.56) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2428407 0.87 MAPK9 (0.53) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2423054 0.87 MAPK9 (0.59) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2423073 0.83 MAPK9 (0.55) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2422491 0.83 MAPT (0.58) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2424858 0.83 MAPK9 (0.61) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2421411 0.81 MAPK9 (0.53) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2421831 0.81 MAPK9 (0.55) SMN1; SMN2BCL2BCL2L1MAPK9MAPK10
SCHEMBL2428799 0.80 MAPK9 (0.61) SMN1; SMN2MAPK9MAPK10POLBTDP1

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