SCHEMBL4971793

SCHEMBL4971793

O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(O)c(O)c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc[nH]c1=S

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.66
▸ MAPK10 P53779 1/20 0.66
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LMNA P02545 6/20 0.40
▸ USP2 O75604 5/20 0.40
▸ TSHR P16473 5/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ BAP1 Q92560 1/20 0.40
▸ GAA P10253 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL2427010 0.93 MAPK9 (0.69) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2425364 0.91 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL4191152 0.90 MAPK9 (0.66) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2421320 0.85 MAPK9 (0.71) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2425344 0.84 MAPK9 (0.75) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL4969901 0.80 MAPK9 (0.66) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL1518774 0.80 MAPK9 (1.00) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL4191146 0.80 MAPK9 (0.68) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2428102 0.78 MAPK9 (0.73) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2422218 0.78 MAPK9 (0.80) MAPK9MAPK10MEN1KMT2ARXFP1

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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