Sugi Predict

Sugi Predict / Compounds / SCHEMBL29635247

SCHEMBL29635247

SCHEMBL29635247

[2H]C([2H])([2H])c1nc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)sc1S(C)(=N)=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 19/20 0.73
▸ CA1 P00915 19/20 0.73
▸ CA2 P00918 19/20 0.73
▸ CA5A P35218 19/20 0.73
▸ CA9 Q16790 19/20 0.73
▸ CA5B Q9Y2D0 19/20 0.73

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
SCHEMBL31388226 1.00 CA12 (0.73) CA12CA1CA2CA5ACA9
SCHEMBL20876182 0.94 CA12 (0.83) CA12CA1CA2CA5ACA9
SCHEMBL20876180 0.94 CA12 (0.83) CA12CA1CA2CA5ACA9
SCHEMBL22405737 0.94 CA12 (0.83) CA12CA1CA2CA5ACA9
SCHEMBL31213329 0.94 CA12 (0.83) CA12CA1CA2CA5ACA9
SCHEMBL29635266 0.91 CA12 (0.73) CA12CA1CA2CA5ACA9
SCHEMBL29635265 0.91 CA12 (0.88) CA12CA1CA2CA5ACA9
SCHEMBL20876175 0.88 CA12 (0.70) CA12CA1CA2CA5ACA9
SCHEMBL31213330 0.88 CA12 (0.70) CA12CA1CA2CA5ACA9
SCHEMBL22427644 0.88 CA12 (0.70) CA12CA1CA2CA5ACA9

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-4237414-A1 DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS Innovative Molecules GmbH (DE) 2023-09-06 — — EP disclosed
WO-2022090409-A1 DEUTERATED AMINOTHIAZOLE COMPOUNDS AS ANTIVIRAL COMPOUNDS INNOVATIVE MOLECULES GMBH (DE) 2022-05-05 — — WO disclosed