SCHEMBL21289971

SCHEMBL21289971

COc1cc(-c2nc3ccccc3nc2-c2ccccc2)ccc1-c1ccccc1Br

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.66
KDM4E B2RXH2 5/20 0.59
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
POLB P06746 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
ACACA Q13085 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NQO2 P16083 1/20 0.43
PRNP P04156 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21290148 0.81 ACACA (0.70) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL15075259 0.80 L3MBTL1 (1.00) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL21289974 0.79 ACACA (0.48) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23956222 0.78 NPC1 (0.67) L3MBTL1KDM4ELMNAALDH1A1POLB
SCHEMBL21496288 0.77 L3MBTL1 (0.59) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL23956341 0.77 L3MBTL1 (0.55) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL11619723 0.76 L3MBTL1 (0.62) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL21289787 0.76 L3MBTL1 (0.75) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL16981107 0.73 L3MBTL1 (0.69) L3MBTL1KDM4ELMNAALDH1A1GAA
SCHEMBL21290393 0.73 ERN1 (0.46) L3MBTL1KDM4EALDH1A1GAASMN1; SMN2

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
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 WO disclosed