SCHEMBL28383517

SCHEMBL28383517

CN(C)C(=O)Sc1cc(C#N)c2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.46
▸ MCL1 Q07820 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28386432 0.73 SLC22A12 (0.53) SLC22A12XDHKDM4E
SCHEMBL28387500 0.73 SLC22A12 (0.42) SLC22A12MCL1XDHCA1CA2
SCHEMBL28063135 0.73 MCL1 (0.46) SLC22A12MCL1XDHCA1CA2
SCHEMBL11763563 0.72 LMNA (0.44) —
SCHEMBL9493141 0.71 GAA (0.49) CYP1A2CYP2C9CYP2C19
SCHEMBL3631419 0.71 WDR5 (0.44) SLC22A12KDM4E
SCHEMBL28384020 0.71 IMPDH2 (0.51) SLC22A12MCL1CA1CA2KDM4E
SCHEMBL28388485 0.70 MCL1 (0.46) SLC22A12MCL1XDHCA1CA2
SCHEMBL28387514 0.69 SLC22A12 (0.67) SLC22A12CA1CA2HTR2C
SCHEMBL13170778 0.68 CA1 (0.55) MCL1CA1CA2ALOX15GSK3B

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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