SCHEMBL21727874

SCHEMBL21727874

CC(C)(C=O)Sc1ccncc1-c1ccc(C#N)cc1F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 18/20 0.72
▸ SLC22A6 Q4U2R8 2/20 0.45
▸ SLC22A11 Q9NSA0 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38

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
SCHEMBL12069488 0.84 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL21727913 0.81 SLC22A12 (0.71) SLC22A12SLC22A6SLC22A11ABCG2CYP11B1
SCHEMBL21758473 0.75 SLC22A12 (0.56) SLC22A12CYP11B1CYP11B2
SCHEMBL21397227 0.74 SLC22A12 (0.54) SLC22A12CYP11B1CYP11B2
SCHEMBL21727932 0.73 SLC22A12 (0.62) SLC22A12
SCHEMBL12069490 0.71 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL21727928 0.70 SLC22A12 (0.69) SLC22A12
SCHEMBL21727923 0.70 SLC22A12 (0.65) SLC22A12
SCHEMBL6921971 0.69 SLC22A12 (0.54) SLC22A12CYP11B1CYP11B2
SCHEMBL21727870 0.69 SLC22A12 (0.66) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611167-A1 THIOACETATE COMPOUND AND METHODS OF USE Ardea Biosciences, Inc. (US) 2020-02-19 — — EP disclosed
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