SCHEMBL1382785

SCHEMBL1382785

CS(=O)(=O)CCCC(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.49
KDM4E B2RXH2 1/20 0.45
NAMPT P43490 3/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL1379938 0.93 F10 (0.51) F10KDM4EGAAKMT2AMEN1
SCHEMBL1379979 0.84 F10 (0.47) F10KDM4EKMT2AALDH1A1CA12
SCHEMBL1377941 0.82 CA1 (0.48) F10KMT2AMEN1CA12CA1
SCHEMBL1378839 0.82 F10 (0.45) F10KDM4EGAAKMT2AMEN1
SCHEMBL6525810 0.80 MAPT (0.57) F10NAMPTGAAKMT2AMEN1
SCHEMBL10769628 0.80 HDAC6 (0.58) KDM4EHDAC3HDAC1HDAC2HDAC10
SCHEMBL8325725 0.79 MAPT (0.55) F10KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5428908 0.78 F10 (0.60) F10KMT2AMEN1ALDH1A1
SCHEMBL221944 0.76 F10 (0.48) F10KDM4EGAAKMT2AMEN1
SCHEMBL22353066 0.73 MEN1 (0.52) F10KDM4EGAAKMT2AMEN1

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
JP-4699985-B2 2011-06-15 JP claimed