SCHEMBL4240875

SCHEMBL4240875

CCCCc1c(N2CC=Cc3ccccc32)cccc1S(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
DRD2 P14416 1/20 0.30
F10 P00742 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
SCHEMBL6276316 0.93 CA2 (0.33) CA2CA12CA1CA9CYP2C9
SCHEMBL4240871 0.84 NR1H2 (0.37) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL6051181 0.81 CA2 (0.33) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL5516742 0.80 LMNA (0.35)
SCHEMBL6276311 0.80 CA12 (0.31) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL6051175 0.79 CA2 (0.33) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL5516734 0.78 LMNA (0.33)
SCHEMBL3746652 0.76 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL3746661 0.76 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL2724413 0.72 CA2 (0.48) CA2CA12CA1CA9SMN1; SMN2

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