SCHEMBL21727919

SCHEMBL21727919

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

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.81
▸ AR P10275 1/20 0.41

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
SCHEMBL15267213 0.91 SLC22A12 (0.85) SLC22A12
SCHEMBL12069504 0.90 SLC22A12 (1.00) SLC22A12
SCHEMBL12069479 0.80 SLC22A12 (1.00) SLC22A12
SCHEMBL12069485 0.76 SLC22A12 (1.00) SLC22A12
SCHEMBL21727877 0.76 SLC22A12 (0.76) SLC22A12AR
SCHEMBL23484667 0.74 SLC22A12 (0.69) SLC22A12
SCHEMBL15163965 0.72 SLC22A12 (0.81) SLC22A12
SCHEMBL30131564 0.72 SLC22A12 (0.53) SLC22A12AR
SCHEMBL21727905 0.71 SLC22A12 (0.73) SLC22A12
SCHEMBL3094436 0.71 MKNK1 (0.64) 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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