SCHEMBL6276316

SCHEMBL6276316

CCCc1c(N2CC=Cc3ccccc32)cccc1S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CYP2C9 P11712 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
DRD2 P14416 1/20 0.32
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX4 Q99571 1/20 0.30
CDK2 P24941 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
SCHEMBL4240875 0.93 CA2 (0.36) CA2CA1CA9CA12CA7
SCHEMBL5516742 0.84 LMNA (0.35)
SCHEMBL6276311 0.84 CA12 (0.31) CA2CA1CA9CA12CA7
SCHEMBL5516734 0.82 LMNA (0.33)
SCHEMBL3746661 0.82 NR1H2 (0.30)
SCHEMBL4240871 0.80 NR1H2 (0.37) CA2CA1CA9CA12CA7
SCHEMBL3746652 0.80 NR1H2 (0.30)
SCHEMBL6051181 0.74 CA2 (0.33) CA2CA1CA9CA12CYP2C9
SCHEMBL17363963 0.73 CA2 (0.36) CA2CA1CA9CA12CA7
SCHEMBL3746658 0.72 P2RX4 (0.39) DRD2P2RX1P2RX3P2RX4

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-2005003064-A2 SULFONAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-01-13 WO disclosed