SCHEMBL7444767

SCHEMBL7444767

Nc1cccnc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3ncccn3)CC2)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA2 P00918 1/20 0.35
TGM2 P21980 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL2423345 0.97 MEN1 (0.47) MEN1KMT2AMAPK9MAPK10THRB
SCHEMBL2422967 0.93 MEN1 (0.51) MEN1KMT2AMAPK9MAPK10THRB
SCHEMBL2426717 0.89 CYP1A2 (0.45) MEN1KMT2AMAPK9MAPK10MAPT
SCHEMBL2423715 0.89 MEN1 (0.47) MEN1KMT2AMAPK9MAPK10THRB
SCHEMBL4979545 0.87 MAPK9 (0.51) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL2422267 0.86 MAPK9 (0.58) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL2422166 0.84 CYP1A2 (0.49) MEN1KMT2AMAPK9MAPK10ALDH1A1
SCHEMBL4992664 0.83 KMT2A (0.47) MEN1KMT2AMAPK9MAPK10THRB
SCHEMBL6431835 0.83 MEN1 (0.55) MEN1KMT2AMAPK9MAPK10MAPT
SCHEMBL2423898 0.82 MAPK9 (0.55) MEN1KMT2AMAPK9MAPK10ALDH1A1

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