SCHEMBL20444359

SCHEMBL20444359

c1ccc(-c2nc(-c3cc4c5ccccc5n5c6ccccc6c6cccc3c6c45)nc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
NUDT1 P36639 3/20 0.40
ADORA2A P29274 4/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
WHR1 P49842 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAD52 P43351 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL20444505 0.85 KDM4E (0.35) MEN1KMT2AATMADORA2AALDH1A1
SCHEMBL17704960 0.84 MEN1 (0.45) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL17704939 0.83 MEN1 (0.52) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL17704964 0.82 MEN1 (0.46) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22954848 0.82 MEN1 (0.39) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18239142 0.81 MEN1 (0.49) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL21473105 0.81 MEN1 (0.43) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL17704969 0.81 MEN1 (0.46) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL20444623 0.81 ALDH1A1 (0.40) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL17704942 0.81 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A

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-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 WO disclosed