SCHEMBL4240871

SCHEMBL4240871

CCCCc1cccc(S(N)(=O)=O)c1N1CC=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CA2 P00918 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
BID P55957 3/20 0.30
MCL1 Q07820 3/20 0.30
BCL2L1 Q07817 2/20 0.30
BAK1 Q16611 2/20 0.30
KAT8 Q9H7Z6 2/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
EP300 Q09472 1/20 0.30
KAT2A Q92830 1/20 0.30
KAT2B Q92831 1/20 0.30
KAT5 Q92993 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6276311 0.93 CA12 (0.31) NR1H2NR1H3CA2SMN1; SMN2CA12
SCHEMBL4240875 0.84 CA2 (0.36) NR1H2NR1H3CA2SMN1; SMN2CA12
SCHEMBL6276316 0.80 CA2 (0.33) CA2CA12CA1CA9CYP2C9
SCHEMBL6051175 0.79 CA2 (0.33) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL5516734 0.78 LMNA (0.33)
SCHEMBL6051181 0.77 CA2 (0.33) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL5516742 0.76 LMNA (0.35)
SCHEMBL3746652 0.74 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL3746661 0.74 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL30140890 0.71 CA2 (0.49) CA2SMN1; SMN2CA12CA1CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO disclosed
WO-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed