SCHEMBL23012197

SCHEMBL23012197

[2H]C([2H])([2H])C(C(=O)Nc1ccc2oc(-c3ccnc(C(=O)OC)c3)nc2c1)C([2H])([2H])[2H]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ TP53 P04637 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ UTRN P46939 1/20 0.56
▸ MAPT P10636 3/20 0.53
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48

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
SCHEMBL23012925 0.90 ALDH1A1 (0.61) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL29479804 0.90 ALDH1A1 (0.61) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23034143 0.86 MAPT (0.71) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23012520 0.83 KDM4E (0.64) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL31165939 0.83 KDM4E (0.64) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL28701684 0.83 ALDH1A1 (0.71) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23033654 0.82 MAPT (0.54) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23033327 0.81 MAPT (0.53) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL23012893 0.81 MAPT (0.53) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL29479624 0.81 MAPT (0.53) NPC1ALDH1A1HPGDRAB9AHSD17B10

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
Send feedback