SCHEMBL8425574

SCHEMBL8425574

CCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/Nc1ccccc1CC.CCc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.41
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP2 O95551 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.32
PTGS2 P35354 3/20 0.32

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
SCHEMBL8425576 1.00 KAT8 (0.41) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL6946132 0.95 KAT8 (0.44) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL6946129 0.95 KAT8 (0.44) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8423684 0.91 MEN1 (0.34) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8423682 0.91 MEN1 (0.34) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8428136 0.87 KMT2A (0.40) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8428139 0.87 KMT2A (0.40) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8428127 0.86 ALDH1A1 (0.49) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8428125 0.86 ALDH1A1 (0.49) KAT8ALDH1A1KMT2AMEN1MAPT
SCHEMBL8425734 0.86 KMT2A (0.38) KAT8ALDH1A1KMT2AMEN1MAPT

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