SCHEMBL1675775

SCHEMBL1675775

NC(=O)Cc1ccc(-n2ccncc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.45
CA2 P00918 1/20 0.43
F10 P00742 4/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPK14 Q16539 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
AOC2 O75106 1/20 0.35

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
SCHEMBL2639862 0.80 MKNK1 (0.46) TBXAS1F10MAPK14
SCHEMBL6460444 0.77 F10 (0.48) F10
SCHEMBL1675566 0.76 CA2 (0.47) CA2F10NSD2POLBGRK2
SCHEMBL5433501 0.76 F10 (0.46) CA2F10MAPK14
SCHEMBL15094392 0.76 ALDH1A1 (0.53) CA2
SCHEMBL77918 0.75 MAPT (0.48) F10MAPK14
SCHEMBL8266914 0.75 F2 (0.42) F10MAPK14
SCHEMBL4748205 0.74 NR4A1 (0.53) CA2F10MAPK14POLB
SCHEMBL29683214 0.73 BCHE (0.43) CA2F10MAPK14
SCHEMBL16361758 0.71 SMN1; SMN2 (0.46) CA2

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-4668614-B2 2011-04-13 JP claimed