SCHEMBL23012794

SCHEMBL23012794

CCOC(=O)c1cc(C2Nc3cc(C(=O)O)ccc3O2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GABRP O00591 3/20 0.35
▸ GABRD O14764 3/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB1 P18505 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35

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
SCHEMBL29479775 1.00 HRH3 (0.38) HRH3KDM4ENPC1MAPTMEN1
SCHEMBL28710781 0.84 KDM4E (0.38) KDM4EMAPTKMT2APOLBGAA
SCHEMBL29479724 0.82 KIF11 (0.38) KDM4ENPC1MAPTMEN1KMT2A
SCHEMBL28701647 0.82 KIF11 (0.38) KDM4ENPC1MAPTMEN1KMT2A
SCHEMBL29479736 0.81 ALDH1A1 (0.42) KDM4ENPC1MAPTMEN1KMT2A
SCHEMBL23033690 0.81 ALDH1A1 (0.42) KDM4ENPC1MAPTMEN1KMT2A
SCHEMBL29479627 0.78 GAA (0.41) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL23012867 0.78 GAA (0.41) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL1920448 0.75 FTO (0.61) HRH3KDM4EMAPTCYP2C9CYP2C19
SCHEMBL21880385 0.73 ALOX5 (0.50) KDM4ENPC1MAPTMEN1KMT2A

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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