SCHEMBL29479804

SCHEMBL29479804

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ USP2 O75604 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ TP53 P04637 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ UTRN P46939 2/20 0.58
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ KDM4E B2RXH2 7/20 0.51
▸ POLB P06746 2/20 0.51

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 1.00 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL28701684 0.93 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23012197 0.90 NPC1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23012175 0.85 NPC1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL29479597 0.85 NPC1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL28714600 0.82 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL31165944 0.82 KDM4E (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23033530 0.80 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL31165948 0.80 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL23033325 0.80 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10

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
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
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