SCHEMBL23033513

SCHEMBL23033513

CNc1cc(NC(=O)C2CC2)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.62
▸ ACLY P53396 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MALT1 Q9UDY8 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MTNR1A P48039 2/20 0.50
▸ MTNR1B P49286 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ GRM4 Q14833 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL23033434 0.86 POLB (0.48) POLBACLYHPGDSMN1; SMN2MALT1
SCHEMBL23033474 0.85 POLB (0.55) POLBKDM4EALDH1A1NAMPTLMNA
SCHEMBL23033577 0.82 HTT (0.49) POLBACLYHPGDSMN1; SMN2ALDH1A1
SCHEMBL23033389 0.81 BACE1 (0.43) POLBACLYHPGDSMN1; SMN2BACE1
SCHEMBL29619023 0.81 POLB (0.64) POLBHPGDSMN1; SMN2MALT1ACHE
SCHEMBL22000031 0.81 POLB (0.64) POLBACLYHPGDSMN1; SMN2MALT1
SCHEMBL23033329 0.81 ALDH1A1 (0.73) POLBHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL6354556 0.80 ALDH1A1 (0.59) POLBSMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL29130900 0.78 POLB (0.64) POLBHPGDSMN1; SMN2MALT1ACHE
SCHEMBL8901878 0.77 POLB (0.62) POLBHPGDSMN1; SMN2MALT1ACHE

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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