SCHEMBL8423684

SCHEMBL8423684

CCCC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1=CNc1ccccc1CC.CCc1ccccc1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
THRB P10828 2/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KAT8 Q9H7Z6 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DDX3X O00571 1/20 0.31

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
SCHEMBL8423682 1.00 MEN1 (0.34) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6946010 0.96 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6946007 0.96 ALDH1A1 (0.37) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8425576 0.91 KAT8 (0.41) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8425574 0.91 KAT8 (0.41) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6946132 0.86 KAT8 (0.44) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6946129 0.86 KAT8 (0.44) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8423685 0.84 MEN1 (0.35) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8425734 0.82 KMT2A (0.38) MEN1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8425736 0.82 KMT2A (0.38) MEN1ALDH1A1KMT2AMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed