SCHEMBL23034059

SCHEMBL23034059

Cc1cn(-c2ccc3oc(-c4ccnc(C(=O)O)c4)nc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.40
▸ MAOB P27338 3/20 0.40
▸ POLB P06746 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HPSE Q9Y251 2/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ BLM P54132 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ WNT3A P56704 1/20 0.38

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
SCHEMBL28710682 0.87 NOTUM (0.46) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL29479640 0.87 NOTUM (0.46) POLBHPGDMEN1KMT2AMAPK1
SCHEMBL28707273 0.86 POLB (0.50) MAOAPOLBHPGDMEN1KMT2A
SCHEMBL29479610 0.86 POLB (0.50) MAOAPOLBHPGDMEN1KMT2A
SCHEMBL28706295 0.83 MAOA (0.38) MAOAMAOBPOLBHPGDMEN1
SCHEMBL29479777 0.80 SMN1; SMN2 (0.59) POLBHPGDMAPK1HPSERAB9A
SCHEMBL28711116 0.80 SMN1; SMN2 (0.59) POLBHPGDMAPK1HPSERAB9A
SCHEMBL23033979 0.78 S1PR1 (0.49) HPGDMEN1KMT2AHPSEALDH1A1
SCHEMBL23034194 0.77 KMO (0.40) MAOAPOLBHPGDMAPK1HPSE
SCHEMBL29479745 0.77 KMO (0.40) MAOAPOLBHPGDMAPK1HPSE

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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