SCHEMBL7450790

SCHEMBL7450790

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3C(F)(F)F)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCL2 P10415 4/20 0.38
BCL2L1 Q07817 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
WNK1 Q9H4A3 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH3A1 P30838 1/20 0.36

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
SCHEMBL2423196 0.94 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL4190246 0.88 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2420532 0.88 MAPK9 (0.58) MAPK9MAPK10MEN1KMT2ABCL2
SCHEMBL2423150 0.86 MAPK9 (0.58) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2426630 0.85 MEN1 (0.49) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2421952 0.83 KMT2A (0.45) MEN1KMT2AMAPK1GAAMAPT
SCHEMBL3479980 0.82 MEN1 (0.48) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2423342 0.81 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL4969141 0.81 MAPK9 (0.52) MAPK9MAPK10MEN1KMT2AMAPK1
SCHEMBL2422247 0.81 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2ABCL2

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-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO disclosed