SCHEMBL8424072

SCHEMBL8424072

CCN(CC)S(=O)(=O)c1ccc(N2N=C(C)C(=CNc3ccccc3OC)C2=O)cc1.COc1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
POLB P06746 3/20 0.43
GAA P10253 1/20 0.42
AMY1A P0DUB6 2/20 0.42
PTGS2 P35354 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL8424070 1.00 KMT2A (0.43) KMT2AMEN1POLBGAAAMY1A
SCHEMBL6949812 0.95 KMT2A (0.47) KMT2AMEN1POLBGAAAMY1A
SCHEMBL6949810 0.95 KMT2A (0.47) KMT2AMEN1POLBGAAAMY1A
SCHEMBL8428063 0.91 PTGS2 (0.45) KMT2AMEN1POLBGAAAMY1A
SCHEMBL8428064 0.91 PTGS2 (0.45) KMT2AMEN1POLBGAAAMY1A
SCHEMBL6949544 0.87 PTGS2 (0.47) KMT2AMEN1POLBGAAAMY1A
SCHEMBL6949542 0.87 PTGS2 (0.47) KMT2AMEN1POLBGAAAMY1A
SCHEMBL8015654 0.86 KAT8 (0.41) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL8015657 0.86 KAT8 (0.41) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL6947265 0.83 KAT8 (0.42) KMT2AMEN1POLBGAAPTGS2

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