SCHEMBL23033644

SCHEMBL23033644

Cn1nccc1-c1ccc2oc(-c3ccnc(C(=O)O)c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HPSE Q9Y251 4/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ PIK3CA P42336 1/20 0.39

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
SCHEMBL23033423 0.86 HDAC6 (0.38) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29479721 0.86 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL23012088 0.86 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29479612 0.84 SMN1; SMN2 (0.42) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28714646 0.84 SMN1; SMN2 (0.42) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23033305 0.84 HDAC6 (0.40) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29479644 0.83 ALDH1A1 (0.47) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23012526 0.83 ALDH1A1 (0.47) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23033561 0.83 PIM1 (0.55) HPSEABL1
SCHEMBL28713414 0.82 NPC1 (0.39) HDAC6ALDH1A1NPC1RAB9ASMN1; SMN2

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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