SCHEMBL4969901

SCHEMBL4969901

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(n4nnc5ccccc54)CC3)s2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.66
▸ MAPK10 P53779 1/20 0.66
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 5/20 0.43
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ USP2 O75604 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ BAP1 Q92560 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL2428102 0.94 MAPK9 (0.73) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2425344 0.89 MAPK9 (0.75) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL6431760 0.88 MAPK9 (0.71) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2425364 0.84 MAPK9 (0.80) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2419679 0.81 MAPK9 (0.72) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL4971793 0.80 MAPK9 (0.66) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL1518774 0.80 MAPK9 (1.00) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2421320 0.79 MAPK9 (0.71) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL4204314 0.79 MAPK9 (0.73) MAPK9MAPK10KMT2AMEN1LMNA
SCHEMBL2428546 0.79 KMT2A (0.55) MAPK9MAPK10KMT2AMEN1LMNA

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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