SCHEMBL4969974

SCHEMBL4969974

O=C(NCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 6/20 0.40
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ USP2 O75604 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL2422218 0.89 MAPK9 (0.80) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL2424820 0.88 MEN1 (0.50) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL4204314 0.86 MAPK9 (0.73) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL2419679 0.83 MAPK9 (0.72) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2428274 0.82 MEN1 (0.50) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL1518774 0.79 MAPK9 (1.00) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL1518770 0.78 MAPK9 (0.55) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL4192938 0.78 KMT2A (0.41) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL2425364 0.78 MAPK9 (0.80) MAPK9MAPK10L3MBTL1MEN1KMT2A
SCHEMBL7436716 0.78 MAPK9 (0.58) MAPK9MAPK10L3MBTL1MEN1KMT2A

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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