SCHEMBL2553875

SCHEMBL2553875

COC(=O)c1nccc(C=O)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MPI P34949 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 2/20 0.39
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
F2 P00734 2/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
FGFR4 P22455 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL3714129 0.79 ROCK1 (0.44) KDM4EALOX15L3MBTL1ALDH1A1ROCK1
SCHEMBL29479833 0.79 GRM4 (0.55) KDM4EL3MBTL1ALDH1A1KMT2AGLA
SCHEMBL23033312 0.79 GRM4 (0.55) KDM4EL3MBTL1ALDH1A1KMT2AGLA
SCHEMBL31165935 0.79 GRM4 (0.55) KDM4EL3MBTL1ALDH1A1KMT2AGLA
SCHEMBL10828483 0.77 ROCK1 (0.40) KDM4EALOX15L3MBTL1ALDH1A1KMT2A
SCHEMBL7077382 0.77 KMT2A (0.43) KDM4EALOX15L3MBTL1ALDH1A1KMT2A
SCHEMBL165741 0.77 KDM4E (0.41) KDM4EALOX15L3MBTL1ALDH1A1KMT2A
SCHEMBL351032 0.75 KDM4E (0.40) KDM4EALOX15L3MBTL1ALDH1A1KMT2A
SCHEMBL23795448 0.75 ATR (0.42) KDM4EALOX15L3MBTL1ALDH1A1ROCK1
SCHEMBL31344571 0.75 ALDH1A1 (0.47) KDM4EALOX15L3MBTL1ALDH1A1KMT2A

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 11 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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US 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
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
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed