SCHEMBL9821407

SCHEMBL9821407

Cc1cnc2c(c1)S(=O)(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.52
CA9 Q16790 13/20 0.52
CA1 P00915 4/20 0.51
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
BRD4 O60885 1/20 0.42
CA2 P00918 4/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28516402 0.70 CA12 (0.57) CA12CA9CA1RAB9AGAA
SCHEMBL1172438 0.69 CA12 (1.00) CA12CA9CA1GAACA2
SCHEMBL30527996 0.69 CA12 (1.00) CA12CA9CA1GAACA2
SCHEMBL31455616 0.68 CA12 (1.00) CA12CA9CA1RAB9ACA2
SCHEMBL31455596 0.67 CA12 (0.80) CA12CA9CA1GAACA2
SCHEMBL6242464 0.66 CA12 (0.68) CA12CA9CA1RAB9AGAA
SCHEMBL7314445 0.66 CA12 (0.68) CA12CA9CA1RAB9AGAA
SCHEMBL7281068 0.66 CA12 (0.68) CA12CA9CA1RAB9AGAA
SCHEMBL19286604 0.65 TSHR (0.53) RAB9AMAPTGAABRD4
Ammonia Solution, Strong SCHEMBL27564485 0.64 CA12 (0.47) CA12CA9CA1RAB9AGAA

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
US-4999426-A Preparation of 4-azasaccharines CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4889933-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
EP-0308371-A1 4-Aza-saccharines, 4-aza-dihydro- or -tetrahydrosaccharines and process for their preparation CIBA-GEIGY AG (CH) 1989-03-22 EP disclosed