SCHEMBL11018866

SCHEMBL11018866

COc1cc(S(=O)(=O)N(C)C)ccc1-c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ATR Q13535 1/20 0.44
▸ PKN1 Q16512 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ CFB P00751 7/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL11018857 0.92 MAPT (0.44) MAPTATRCA12CA1CA2
SCHEMBL11021741 0.89 ATR (0.44) MAPTATRPKN1PKN2CHEK2
SCHEMBL11021898 0.89 ATR (0.53) ATRPKN1PKN2CFBCHEK2
SCHEMBL11020318 0.88 CA12 (0.54) ATRPKN1PKN2CFBCHEK2
SCHEMBL11021561 0.88 L3MBTL1 (0.47) MAPTATRPKN1PKN2CFB
SCHEMBL11018186 0.87 CYP3A4 (0.48) ATRPKN1PKN2CFB
SCHEMBL11016115 0.86 CFB (0.47) MAPTATRPKN1PKN2CFB
SCHEMBL11018077 0.84 CYP2C9 (0.54) ATRPKN1PKN2CFBCHEK2
SCHEMBL11017639 0.82 MAPT (0.49) MAPTATRPKN1PKN2CFB
SCHEMBL11017899 0.82 CHEK2 (0.50) MAPTCHEK2

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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