SCHEMBL23033325

SCHEMBL23033325

CC(C)(C)OC(=O)Nc1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ POLB P06746 5/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 7/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HPGD P15428 6/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 2/20 0.48
▸ UTRN P46939 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL23033327 0.91 MAPT (0.53) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL29479738 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL29479597 0.85 NPC1 (0.70) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL23012175 0.85 NPC1 (0.70) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL23033530 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL31165944 0.82 KDM4E (0.67) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL28701684 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL30782727 0.80 MAPT (0.63) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL30782726 0.80 MAPT (0.63) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL23012925 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBNPC1RAB9A

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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