SCHEMBL20000070

SCHEMBL20000070

Nc1c(CBr)c(N)c(CBr)c(S(N)(=O)=O)c1CBr

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA3 P07451 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL21135673 0.71 CA2 (0.35) CA1CA2CA12CA7CA13
SCHEMBL31034565 0.70 CA1 (0.61) CA1CA2CA12CA7CA13
SCHEMBL20000078 0.64 ALDH1A1 (0.34) CA1CA2CA12CA7CA13
SCHEMBL20000065 0.61 KDM4E (0.36) CA1CA2CA12CA7CA13
SCHEMBL21135679 0.58 KDM4E (0.38) CA1CA2CA12CA7CA13
SCHEMBL601019 0.58 CA2 (0.55) CA1CA2CA12CA7CA13
SCHEMBL29106965 0.57 CA2 (0.35) CA1CA2CA12CA7CA13
SCHEMBL31371139 0.57 CA2 (0.57) CA1CA2CA12CA7CA9
SCHEMBL24812540 0.57 KDM4E (0.41) CA1CA2CA12CA7CA13
SCHEMBL15647727 0.57 CA1 (0.74) CA1CA2CA12CA7CA13

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-20180085716-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION DEVICE, GAS SEPARATION METHOD, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2018-03-29 US disclosed