SCHEMBL22443301

SCHEMBL22443301

O=Cc1c(Br)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPK8 P45983 2/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL2146712 0.87 MAPT (0.41) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL1144061 0.81 CYP1A2 (0.67) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL29954953 0.79 KDM4E (0.52) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL2343158 0.79 KDM4E (0.52) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL6748554 0.78 ALDH1A1 (0.64) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL28165048 0.76 L3MBTL1 (0.52) L3MBTL1KDM4EATMCYP1A2CYP2C19
SCHEMBL9737954 0.76 L3MBTL1 (0.47) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL8998884 0.75 ALDH1A1 (0.60) L3MBTL1KDM4EATMPOLBCYP1A2
SCHEMBL28263719 0.74 KDM4E (0.46) L3MBTL1KDM4EATMALDH1A1KMT2A
SCHEMBL2347546 0.74 LMNA (0.47) L3MBTL1KDM4EATMPOLBCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941920-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-03-20 EP disclosed
EP-3941920-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2022-01-26 EP disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
WO-2020187865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed