SCHEMBL23012147

SCHEMBL23012147

COC(=O)c1cc(-c2nc3cc(NC(=O)CCCBr)ccc3o2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.61
▸ KDM4E B2RXH2 13/20 0.61
▸ HPGD P15428 13/20 0.61
▸ HSD17B10 Q99714 13/20 0.61
▸ MAPT P10636 8/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ GLA P06280 1/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ POLB P06746 3/20 0.54
▸ TP53 P04637 3/20 0.52
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ PPARG P37231 1/20 0.48
▸ NR2E3 Q9Y5X4 1/20 0.48
▸ NCOR2 Q9Y618 1/20 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
SCHEMBL31165939 0.87 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL23012520 0.87 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL23034143 0.84 MAPT (0.71) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL23033654 0.83 MAPT (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28714614 0.82 MAPT (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29479688 0.82 MAPT (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL23033392 0.80 MAPT (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29479820 0.80 MAPT (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28707250 0.80 NPC1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29479722 0.80 NPC1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT

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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