SCHEMBL4189469

SCHEMBL4189469

O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nc4ccc(C(=O)OC(C(=O)Nc5ccc(Cl)cc5)c5ccc(S(=O)(=O)N6CCC(n7nnc8ccccc87)CC6)s5)cc4n3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.68
▸ MAPK10 P53779 1/20 0.68
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 4/20 0.34
▸ USP2 O75604 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ BAP1 Q92560 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BCL2 P10415 1/20 0.31

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
SCHEMBL4189472 0.86 MAPK9 (0.72) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL1518774 0.82 MAPK9 (1.00) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL4970920 0.79 MAPK9 (0.77) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2425309 0.79 MAPK9 (0.60) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL2422850 0.79 MAPK9 (0.75) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL2420451 0.79 MAPK9 (0.78) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2425303 0.79 MAPK9 (0.78) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2420683 0.78 MAPK9 (0.85) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL7886289 0.78 MAPK9 (0.65) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL7447931 0.77 MAPK9 (0.76) 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-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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