SCHEMBL4186433

SCHEMBL4186433

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(-c4ccccc4)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(Cc4ccccc4)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALB P02768 1/20 0.40
LMNA P02545 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL3480013 0.91 MAPT (0.50) MAPK1MAPTMEN1KMT2ATDP1
SCHEMBL3479715 0.90 KMT2A (0.50) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL3480189 0.89 MEN1 (0.51) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL4188130 0.88 MEN1 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2419841 0.85 MAPK1 (0.49) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL2421192 0.84 MEN1 (0.49) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2422685 0.83 KMT2A (0.49) MAPK1MAPTMEN1KMT2ATDP1
SCHEMBL2419239 0.83 MAPT (0.48) MAPK1MAPTMEN1KMT2ATDP1
SCHEMBL2421112 0.83 KMT2A (0.51) MAPK1MAPTMEN1KMT2AALDH1A1
SCHEMBL2426626 0.83 MEN1 (0.56) MAPTMEN1KMT2ATDP1L3MBTL1

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