SCHEMBL19456817

SCHEMBL19456817

COC(=O)C(C)(C)Sc1ccc(C#N)n2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.43
▸ PLCG1 P19174 1/20 0.40
▸ KMT2A Q03164 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ELANE P08246 1/20 0.30

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
SCHEMBL19456819 0.87 SLC22A12 (0.56) SLC22A12
SCHEMBL19456710 0.83 SSTR4 (0.42) SLC22A12PLCG1L3MBTL1
SCHEMBL19456912 0.83 SLC22A12 (0.53) SLC22A12PLCG1
SCHEMBL19456737 0.81 SLC22A12 (0.36) SLC22A12PLCG1L3MBTL1
SCHEMBL19456735 0.80 SLC22A12 (0.35) SLC22A12PLCG1
SCHEMBL19456820 0.79 SLC22A12 (0.53) SLC22A12PLCG1TGFBR1
SCHEMBL19456917 0.77 PLCG1 (0.36) SLC22A12PLCG1
SCHEMBL19456910 0.74 SLC22A12 (0.79) SLC22A12PLCG1TGFBR1
SCHEMBL28399999 0.74 SLC22A12 (0.42) SLC22A12PLCG1KMT2AL3MBTL1ELANE
SCHEMBL19456704 0.70 MALT1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107683282-B URAT1 inhibitor and application thereof in medicine 江苏新元素医药科技有限公司 2020-05-22 — — CN disclosed
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
Send feedback