SCHEMBL4189472

SCHEMBL4189472

O=C(Cc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)Nc1ccc(Cl)cc1.O=C(O)c1ccc2nn(C3CCN(S(=O)(=O)c4ccc(CNC(=O)c5ccc(Cl)cc5)s4)CC3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.72
▸ MAPK10 P53779 1/20 0.72
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GALK1 P51570 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ USP2 O75604 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BAP1 Q92560 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ APEX1 P27695 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
SCHEMBL4189469 0.86 MAPK9 (0.68) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2425338 0.85 MAPK9 (0.72) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL1518774 0.85 MAPK9 (1.00) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2420939 0.85 MAPK9 (0.63) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL4970923 0.84 MAPK9 (0.79) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2422524 0.84 MAPK9 (0.81) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2422088 0.84 MAPK9 (0.81) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL2422850 0.81 MAPK9 (0.75) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL2420683 0.81 MAPK9 (0.85) MAPK9MAPK10MEN1KMT2ARXFP1
SCHEMBL7886289 0.80 MAPK9 (0.65) MAPK9MAPK10MEN1KMT2AMAPT

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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