SCHEMBL4968781

SCHEMBL4968781

O=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ USP5 P45974 1/20 0.53
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BCL2 P10415 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ ACLY P53396 1/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2J2 P51589 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ CCR3 P51677 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
SCHEMBL2422935 0.95 MAPK9 (0.63) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL2423811 0.92 MEN1 (0.68) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL2426036 0.90 MAPK9 (0.64) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL7443885 0.85 MAPK9 (0.54) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL2423768 0.85 MAPK9 (0.60) MEN1KMT2AMAPK9MAPK10TP53
SCHEMBL4964842 0.84 MEN1 (0.59) MEN1KMT2AMAPK9MAPK10TP53
SCHEMBL2422723 0.83 MAPK9 (0.62) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL2419385 0.83 MAPK9 (0.54) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL2420297 0.81 MEN1 (0.61) MEN1KMT2AMAPK9MAPK10USP5
SCHEMBL6430927 0.81 MAPK9 (0.62) MEN1KMT2AMAPK9MAPK10

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
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