SCHEMBL21622823

SCHEMBL21622823

c1cc(-c2cccc3c2sc2ccccc23)cc(-c2cccc3c2sc2c(-c4cccc5ccc6cccnc6c45)cccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
LIMK1 P53667 2/20 0.37
BRD4 O60885 2/20 0.37
MTOR P42345 2/20 0.36
HTT P42858 2/20 0.36
GMNN O75496 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
SCHEMBL21622563 0.95 ALOX5 (0.48) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622634 0.94 ALOX5 (0.47) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622848 0.93 LMNA (0.44) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622971 0.92 ALOX5 (0.45) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622651 0.92 ALOX5 (0.46) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622648 0.91 LMNA (0.44) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622636 0.89 LMNA (0.43) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622966 0.89 CCR1 (0.43) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21622632 0.88 LIMK1 (0.45) ALOX5LMNAMAPTKDM4EMEN1
SCHEMBL21616818 0.88 ALOX5 (0.47) ALOX5LMNAMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed