SCHEMBL1379979

SCHEMBL1379979

O=C(CCS(=O)(=O)O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1377941 0.88 CA1 (0.48) F10CA12CA1CA2CA9
SCHEMBL1379938 0.88 F10 (0.51) F10CA12CA1CA2CA9
SCHEMBL1382785 0.84 F10 (0.49) F10CA12CA1CA2CA9
SCHEMBL5428908 0.81 F10 (0.60) F10L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL6525810 0.80 MAPT (0.57) F10CASP7ALDH1A1SMN1; SMN2KMT2A
SCHEMBL221944 0.79 F10 (0.48) F10CASP3CASP7ALDH1A1SMN1; SMN2
SCHEMBL8325725 0.79 MAPT (0.55) F10LTA4HALDH1A1SMN1; SMN2KDM4E
SCHEMBL22353066 0.74 MEN1 (0.52) F10ALDH1A1KDM4EKMT2ALMNA
SCHEMBL223375 0.73 TSHR (0.56) F10L3MBTL1ALDH1A1KMT2A
SCHEMBL5439266 0.72 F10 (0.59) F10L3MBTL1SMN1; SMN2LMNA

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