SCHEMBL23033434

SCHEMBL23033434

CNc1cc(NC(=O)[C@@H]2CCOC2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ACLY P53396 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PIP5K1C O60331 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ ACKR3 P25106 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL23033513 0.86 POLB (0.62) POLBALDH1A1HPGDACLYMAPT
SCHEMBL23033329 0.79 ALDH1A1 (0.73) POLBALDH1A1HPGDMAPTLMNA
SCHEMBL23033577 0.75 HTT (0.49) POLBALDH1A1HPGDACLYMAPT
SCHEMBL19550575 0.75 ITGB1 (0.50) POLBALDH1A1HPGDKDM4EPIP5K1C
SCHEMBL19550572 0.75 ITGB1 (0.50) POLBALDH1A1HPGDKDM4EPIP5K1C
SCHEMBL19551054 0.75 ITGB1 (0.50) POLBALDH1A1HPGDKDM4EPIP5K1C
SCHEMBL23033389 0.74 BACE1 (0.43) POLBALDH1A1HPGDACLYMAPT
SCHEMBL25668524 0.74 NAMPT (0.53) POLBALDH1A1MAPTKDM4EPIP5K1C
SCHEMBL6354556 0.73 ALDH1A1 (0.59) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL23033474 0.73 POLB (0.55) POLBALDH1A1MAPTLMNAKDM4E

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-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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