SCHEMBL14878182

SCHEMBL14878182

CCCOc1cc(C)cc(OS(=O)(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ GPR17 Q13304 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
SCHEMBL14878151 0.87 F2 (0.47) F2CA12CA1CA2CA7
SCHEMBL14878175 0.83 MEN1 (0.48) F2CA12CA1CA2CA7
SCHEMBL14878116 0.83 F2 (0.55) F2
SCHEMBL5866160 0.82 F2 (0.55) F2CA12CA1CA2CA7
SCHEMBL8094925 0.82 F2 (0.46) F2ALDH1A1
SCHEMBL14878177 0.81 F2 (0.43) F2CA12CA1CA2CA7
SCHEMBL14878156 0.81 F2 (0.52) F2CA12CA1CA2CA7
SCHEMBL8646426 0.78 F2 (0.51) F2P2RY2GPR17
SCHEMBL14878121 0.78 ALDH1A1 (0.50) F2ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL14878155 0.78 F2 (0.62) F2

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
US-8426433-B2 Anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution Obschestvo S Ogranichennoi Otvetsttvennoctiyu “Bionika” (RU) 2013-04-23 — — US disclosed
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