SCHEMBL19456720

SCHEMBL19456720

COC(=O)C(C)(C)Sc1ccn2ccnc2c1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.50
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A11 Q9NSA0 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ NSD2 O96028 1/20 0.37

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
SCHEMBL19456719 0.89 SLC22A12 (0.63) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456721 0.82 SLC22A12 (0.53) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456723 0.81 SLC22A12 (0.48) SLC22A12SLC22A6SLC22A11ABCG2NSD2
SCHEMBL15165680 0.78 SLC22A12 (0.78) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456716 0.74 SLC22A12 (0.54) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL18979067 0.72 SLC22A12 (0.59) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL19456722 0.70 SLC22A12 (0.60) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL28399999 0.70 SLC22A12 (0.42) SLC22A12
SCHEMBL17899844 0.69 SLC22A12 (0.47) SLC22A12
SCHEMBL19456817 0.69 SLC22A12 (0.43) 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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