SCHEMBL23033305

SCHEMBL23033305

Cn1cncc1-c1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GSK3B P49841 12/20 0.40
▸ DYRK1A Q13627 12/20 0.40
▸ WNT1 P04628 5/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29479668 0.92 GSK3B (0.40) GSK3BDYRK1AWNT1NPC1RAB9A
SCHEMBL28707158 0.92 GSK3B (0.40) GSK3BDYRK1AWNT1NPC1RAB9A
SCHEMBL29479803 0.86 MMP2 (0.51) GSK3BDYRK1AWNT1KDM4EALDH1A1
SCHEMBL23012957 0.86 MMP2 (0.51) GSK3BDYRK1AWNT1KDM4EALDH1A1
SCHEMBL29479713 0.85 HDAC6 (0.39) HDAC6PIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL23012735 0.85 HDAC6 (0.39) HDAC6PIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL23033644 0.84 HDAC6 (0.40) HDAC6PIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL23033423 0.83 HDAC6 (0.38) HDAC6PIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL29479612 0.83 SMN1; SMN2 (0.42) HDAC6GSK3BDYRK1AWNT1KDM4E
SCHEMBL28935977 0.83 PIK3CB (0.37) HDAC6GSK3BDYRK1AWNT1PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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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