SCHEMBL28387500

SCHEMBL28387500

CN(C)C(=S)Oc1cc(C#N)c2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.42
▸ MCL1 Q07820 1/20 0.38
▸ GSK3B P49841 1/20 0.35
▸ ADK P55263 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL28384020 0.79 IMPDH2 (0.51) SLC22A12MCL1CA1CA2KDM4E
SCHEMBL28063135 0.74 MCL1 (0.46) SLC22A12MCL1GSK3BADKCA1
SCHEMBL28383517 0.73 SLC22A12 (0.46) SLC22A12MCL1GSK3BADKCA1
SCHEMBL9493355 0.72 GAA (0.44) KDM4EIMPDH2IMPDH1ALDH1A1GAA
SCHEMBL19547904 0.71 SLC22A12 (0.60) SLC22A12IMPDH2IMPDH1MAPTNCEH1
SCHEMBL28388485 0.71 MCL1 (0.46) SLC22A12MCL1CA1CA2KDM4E
SCHEMBL28388335 0.70 SLC22A12 (0.41) SLC22A12IMPDH2IMPDH1
SCHEMBL11908319 0.70 MAPT (0.53) MAPTRAB9ANCEH1
SCHEMBL15223488 0.70 NCEH1 (0.45) KDM4EALDH1A1MAPTHPGDNCEH1
SCHEMBL28394409 0.70 SLC22A12 (0.44) SLC22A12CA1CA2MAPTNCEH1

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
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 — — CN disclosed
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