SCHEMBL7903014

SCHEMBL7903014

CCCc1ccc(C)c(S(N)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.55
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
CA1 P00915 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
MAOB P27338 1/20 0.40
SKP2 Q13309 1/20 0.40
GLO1 Q04760 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
PDIA6 Q15084 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL1803955 0.86 GLO1 (0.42) CA2CA1CA12CA9BRD4
SCHEMBL111618 0.86 CA12 (0.52) CA2MAPTATMCA1CA12
SCHEMBL7904621 0.85 CA2 (0.52) CA2MAPTCA1CA12CA9
SCHEMBL29469901 0.85 CA2 (0.52) CA2MAPTCA1CA12CA9
SCHEMBL1803957 0.84 CA2 (0.53) CA2MAPTCA1CA12CA9
SCHEMBL6839421 0.82 POLB (0.52) CA2FFAR4CNR1CNR2MAPT
SCHEMBL1805341 0.81 CA2 (0.43) CA2CA1CA12CA9BRD4
SCHEMBL28732668 0.81 CA2 (0.48) CA2SMN1; SMN2MAPTCA1CA12
SCHEMBL1805343 0.80 CA2 (0.50) CA2CA1CA12CA9BRD4
SCHEMBL27554982 0.80 CA2 (0.42) CA2CA1CA12CA9BRD4

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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed