SCHEMBL1377941

SCHEMBL1377941

NS(=O)(=O)CCC(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 6/20 0.48
CA12 O43570 4/20 0.48
F10 P00742 6/20 0.46
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 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
SCHEMBL1379979 0.88 F10 (0.47) CA1CA2CA9CA12F10
SCHEMBL1379938 0.87 F10 (0.51) CA1CA2CA9CA12F10
SCHEMBL1382785 0.82 F10 (0.49) CA1CA2CA9CA12F10
SCHEMBL5428908 0.80 F10 (0.60) F10KMT2AMEN1L3MBTL1
SCHEMBL6525810 0.79 MAPT (0.57) F10TSHRKMT2AMEN1CASP7
SCHEMBL221944 0.78 F10 (0.48) F10KMT2AMEN1CASP3CASP7
SCHEMBL8325725 0.78 MAPT (0.55) F10LTA4HKMT2AMEN1
SCHEMBL11300545 0.73 KMT2A (0.61) CA1CA2CA9CA12TSHR
SCHEMBL22353066 0.73 MEN1 (0.52) F10KMT2AMEN1
SCHEMBL223375 0.72 TSHR (0.56) F10TSHRKMT2AMEN1L3MBTL1

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