SCHEMBL23012894

SCHEMBL23012894

CCOC(=O)c1cc(-c2nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3o2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 2/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36

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
SCHEMBL23033308 0.92 MAPT (0.40) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL23012788 0.81 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL29479622 0.81 MAPT (0.44) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL16065191 0.81 UCHL1 (0.42) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL23033343 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL28698118 0.81 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL29479768 0.81 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL29479680 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL28711039 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL29479778 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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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