SCHEMBL21636009

SCHEMBL21636009

O=c1c2cccnc2c2ccccc2n1-c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 4/20 0.38
GAA P10253 2/20 0.38
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
POLB P06746 2/20 0.34
FEN1 P39748 1/20 0.34
BRCA1 P38398 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
SCHEMBL26043242 0.92 KMT2A (0.38) KMT2AMAPTMEN1GAAPDE10A
SCHEMBL14933478 0.91 KMT2A (0.47) KMT2AMAPTMEN1GAAPDE10A
SCHEMBL16904469 0.87 KDM4E (0.38) KMT2AMAPTALDH1A1CYP2C19TSHR
SCHEMBL21636016 0.84 MAPT (0.41) KMT2AMAPTMEN1GAALOXL3
SCHEMBL26046196 0.84 KMT2A (0.49) KMT2AMAPTMEN1GAAPDE10A
SCHEMBL20633747 0.84 MAPT (0.38) KMT2AMAPTMEN1GAAPDE10A
SCHEMBL26046110 0.83 KMT2A (0.48) KMT2AMAPTMEN1GAAPDE10A
SCHEMBL21636013 0.82 MAPK1 (0.47) KMT2AMAPTMEN1ALDH1A1CYP2C19
SCHEMBL21636077 0.82 KMT2A (0.38) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL21636091 0.82 MAPK1 (0.47) KMT2AMAPTMEN1GAAPDE10A

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-3823958-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2020016264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-23 WO disclosed