SCHEMBL19456910

SCHEMBL19456910

COC(=O)C(C)(C)Sc1ccc2nccn2c1-c1ccc(C#N)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.79
▸ KDM1A O60341 4/20 0.36
▸ PLCG1 P19174 1/20 0.36
▸ EGLN2 Q96KS0 3/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL18105594 0.89 SLC22A12 (0.75) SLC22A12KDM1AEGLN2GAA
SCHEMBL19961093 0.89 SLC22A12 (0.84) SLC22A12KDM1AEGLN2GAA
SCHEMBL18105516 0.89 SLC22A12 (1.00) SLC22A12
SCHEMBL19456820 0.83 SLC22A12 (0.53) SLC22A12PLCG1TGFBR1
SCHEMBL19456912 0.82 SLC22A12 (0.53) SLC22A12KDM1APLCG1EGLN2
SCHEMBL19967246 0.74 SLC22A12 (0.62) SLC22A12KDM1AEGLN2GAA
SCHEMBL19456817 0.74 SLC22A12 (0.43) SLC22A12PLCG1TGFBR1
SCHEMBL15463510 0.72 SLC22A12 (0.77) SLC22A12
SCHEMBL15030116 0.71 SLC22A12 (0.52) SLC22A12PLCG1
SCHEMBL19456815 0.70 SLC22A12 (0.69) 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
WO-2017173965-A1 NOVEL URAT1 INHIBITOR AND PHARMACEUTICAL APPLICATION THEREOF 江苏新元素医药科技有限公司 2017-10-12 — — WO disclosed
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