SCHEMBL2475124

SCHEMBL2475124

[CH2]N([CH2])Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.57
CA1 P00915 14/20 0.57
CA9 Q16790 11/20 0.57
CA12 O43570 8/20 0.57
CA7 P43166 7/20 0.57
CA5A P35218 6/20 0.57
CA5B Q9Y2D0 6/20 0.57
CA4 P22748 5/20 0.57
CA14 Q9ULX7 5/20 0.57
CA6 P23280 4/20 0.57
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2475122 0.79 CA2 (0.61) CA2CA1CA9CA12CA7
SCHEMBL16296148 0.79 CA2 (0.61) CA2CA1CA9CA12CA7
SCHEMBL216845 0.76 CA2 (0.64) CA2CA1CA9CA12CA7
SCHEMBL309694 0.75 CA2 (0.73) CA2CA1CA9CA12CA7
SCHEMBL24391565 0.75 CA2 (0.55) CA2CA1CA9CA12CA7
SCHEMBL202948 0.74 CA2 (0.81) CA2CA1CA9CA12CA7
Mafenide SCHEMBL41628 0.73 CA2 (1.00) CA2CA1CA9CA12CA7
Mafenide SCHEMBL9295695 0.73 CA2 (1.00) CA2CA1CA9CA12CA7
SCHEMBL1804376 0.73 CA2 (0.67) CA2CA1CA9CA12CA7
Sulfamide SCHEMBL5585371 0.73 CA2 (0.70) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373622-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER Molecular Insight Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065906-A2 CA-IX SPECIFIC RADIOPHARMACEUTICALS FOR THE TREATMENT AND IMAGING OF CANCER MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed