SCHEMBL4197280

SCHEMBL4197280

CS(=O)(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1.CSc1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1.NS(=O)(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4)s3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 5/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CA4 P22748 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
HCRTR1 O43613 2/20 0.36
HTT P42858 2/20 0.36
HCRTR2 O43614 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2419820 0.92 MEN1 (0.48) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2419239 0.91 MAPT (0.48) MEN1KMT2AMAPTCA2CA1
SCHEMBL2422685 0.91 KMT2A (0.49) MEN1KMT2AMAPTGAALMNA
SCHEMBL2423977 0.86 KMT2A (0.48) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2423188 0.85 KMT2A (0.48) MEN1KMT2AMAPTLMNAMAPK9
SCHEMBL2421018 0.85 ALDH1A1 (0.47) MEN1KMT2AMAPTCA2CA1
SCHEMBL2425308 0.85 MEN1 (0.45) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL2427809 0.84 KMT2A (0.50) MEN1KMT2AMAPTGAAMAPK9
SCHEMBL3480013 0.83 MAPT (0.50) MEN1KMT2AMAPTGAALMNA
SCHEMBL2426328 0.83 MAPT (0.46) MEN1KMT2AMAPTGAALMNA

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