SCHEMBL4204314

SCHEMBL4204314

O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.73
▸ MAPK10 P53779 1/20 0.73
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 4/20 0.44
▸ TSHR P16473 4/20 0.44
▸ USP2 O75604 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ BAP1 Q92560 1/20 0.44
▸ GAA P10253 4/20 0.42
▸ G6PD P11413 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MGAM O43451 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ SI P14410 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
SCHEMBL2419679 0.97 MAPK9 (0.72) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2422218 0.95 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL7436716 0.89 MAPK9 (0.58) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL4969974 0.86 MAPK9 (0.64) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2425364 0.85 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL1518774 0.84 MAPK9 (1.00) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2428102 0.83 MAPK9 (0.73) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL6431760 0.82 MAPK9 (0.71) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2423131 0.82 MAPK9 (0.66) MAPK9MAPK10MEN1KMT2ALMNA
SCHEMBL2425344 0.79 MAPK9 (0.75) MAPK9MAPK10MEN1KMT2ALMNA

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 — — EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 — — WO disclosed
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