SCHEMBL9130898

SCHEMBL9130898

NS(=O)(=O)c1ccc(NNC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
CA2 P00918 15/20 0.67
CA1 P00915 14/20 0.67
CA5A P35218 1/20 0.66
KMT2A Q03164 1/20 0.58
CA4 P22748 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL7052055 0.85 CA2 (0.71) GAACA2CA1CA5AKMT2A
SCHEMBL11358253 0.83 CA2 (0.68) GAACA2CA1CA5AKMT2A
SCHEMBL10725236 0.82 LMNA (0.50) GAACA2CA1CA5A
SCHEMBL28616093 0.82 CA2 (0.67) GAACA2CA1CA5AKMT2A
SCHEMBL28102126 0.81 CA2 (0.70) GAACA2CA1CA5AKMT2A
SCHEMBL6990778 0.80 KMT2A (0.74) CA2CA1KMT2ACA4CA12
SCHEMBL31604259 0.79 CA1 (0.62) CA2CA1CA4CA12CA9
SCHEMBL28884752 0.78 CA2 (0.67) GAACA2CA1CA5AKMT2A
SCHEMBL13945440 0.76 GAA (0.78) GAACA2CA1KMT2ACA4
Hydrochloric Acid SCHEMBL11027004 0.76 CA2 (0.65) GAACA2CA1CA5AKMT2A

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
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US claimed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed