SCHEMBL4673955

SCHEMBL4673955

CCCCCNc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.62
CA1 P00915 16/20 0.62
CA9 Q16790 13/20 0.62
CA12 O43570 9/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
CA7 P43166 2/20 0.53
TSHR P16473 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53

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
SCHEMBL27843901 0.98 CA2 (0.61) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL27635250 0.98 CA2 (0.61) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL28096088 0.98 CA2 (0.61) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL25031242 0.95 CA2 (0.68) CA2CA1CA9CA12SMN1; SMN2
SCHEMBL11755122 0.87 CA2 (0.67) CA2CA1CA9CA12CA7
SCHEMBL28736087 0.84 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL18361755 0.83 CA1 (0.77) CA2CA1CA9CA12CA7
SCHEMBL13439294 0.83 CA1 (0.60) CA2CA1CA9CA12CA7
SCHEMBL17315368 0.82 CA1 (0.68) CA2CA1CA9CA12CA7
SCHEMBL27638315 0.81 CA1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885665-A2 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS Plant Protectants, LLC (US) 2008-02-13 EP disclosed
WO-2006127954-A2 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS PLANT PROTECTANTS, LLC (US) 2006-11-30 WO disclosed
US-3933798-A Novel bis-pyrazolone oxonol dyes POLAROID CORPORATION (US) 1976-01-20 US disclosed