SCHEMBL20097758

SCHEMBL20097758

CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc([S+](C)[O-])cc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.67
CA4 P22748 3/20 0.67
CA1 P00915 3/20 0.67
CA12 O43570 2/20 0.67
CA6 P23280 2/20 0.67
CA5A P35218 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA13 Q8N1Q1 2/20 0.67
CA14 Q9ULX7 2/20 0.67
CA5B Q9Y2D0 2/20 0.67
LMNA P02545 2/20 0.67
CA3 P07451 1/20 0.32
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL19826556 0.85 CA2 (0.73) CA2CA4CA1CA12CA6
SCHEMBL13064108 0.84 CA2 (0.72) CA2CA4CA1CA12CA6
SCHEMBL12603505 0.84 CA2 (0.75) CA2CA4CA1CA12CA6
SCHEMBL14162273 0.83 CA2 (0.56) CA2CA4CA1CA12CA6
SCHEMBL14162679 0.82 CA2 (0.55) CA2CA4CA1CA12CA6
SCHEMBL14040597 0.82 CA2 (0.69) CA2CA4CA1CA12CA6
SCHEMBL14162641 0.82 CA2 (0.55) CA2CA4CA1CA12CA6
SCHEMBL14162454 0.82 CA2 (0.55) CA2CA4CA1CA12CA6
SCHEMBL19826574 0.81 CA2 (0.84) CA2CA4CA1CA12CA6
SCHEMBL14162271 0.81 CA2 (0.54) CA2CA4CA1CA12CA6

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-9956302-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-05-01 US disclosed