SCHEMBL19456735

SCHEMBL19456735

COC(=O)C(C)(C)Sc1ccc(C(F)(F)F)n2ccnc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ HCRTR1 O43613 5/20 0.32
▸ HCRTR2 O43614 5/20 0.32
▸ CYP26A1 O43174 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ KCNQ3 O43525 1/20 0.30
▸ KCNQ2 O43526 1/20 0.30
▸ GAA P10253 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
SCHEMBL19456736 0.86 SLC22A12 (0.47) SLC22A12
SCHEMBL19456710 0.84 SSTR4 (0.42) SLC22A12SSTR4CYP26A1PLCG1
SCHEMBL19456737 0.82 SLC22A12 (0.36) SLC22A12CYP26A1PLCG1
SCHEMBL19456817 0.80 SLC22A12 (0.43) SLC22A12PLCG1
SCHEMBL19456698 0.79 ALDH1A1 (0.34) CNR2GAA
SCHEMBL19456704 0.78 MALT1 (0.35) SLC22A12CNR2
SCHEMBL19456713 0.77 SLC22A12 (0.33) SLC22A12CNR2
SCHEMBL19456912 0.75 SLC22A12 (0.53) SLC22A12PLCG1
SCHEMBL19456820 0.71 SLC22A12 (0.53) SLC22A12SSTR4PLCG1
SCHEMBL19456725 0.70 CYP1A2 (0.37) SLC22A12CYP26A1

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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