SCHEMBL8423717

SCHEMBL8423717

CCCC(=O)CC(=O)OCC.CCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SHMT2 P34897 1/20 0.40
LMNA P02545 4/20 0.36
CASP6 P55212 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8428102 0.89 ALDH1A1 (0.42) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8428145 0.87 GAA (0.46) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8428093 0.86 GAA (0.47) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8427522 0.86 GAA (0.46) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8425391 0.85 GAA (0.43) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6949017 0.85 SHMT2 (0.54) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8424073 0.84 GAA (0.43) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8425294 0.80 GAA (0.45) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL8425478 0.77 CD274 (0.48) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6516786 0.77 SHMT2 (0.49) GAAKMT2AMEN1ALDH1A1L3MBTL1

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