SCHEMBL22140685

SCHEMBL22140685

O=c1c2ccccc2c2cc(O)cc3c4cc(-c5ccccc5)ccc4n1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.39
TSPO P30536 1/20 0.39
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
ESRRA P11474 2/20 0.36
FEN1 P39748 1/20 0.36
NR4A2 P43354 2/20 0.36
EGFR P00533 1/20 0.36
PIM1 P11309 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL22140691 0.92 ESR1 (0.42) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL14732255 0.91 MAOB (0.40) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL20633762 0.91 MAOB (0.40) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL22140660 0.90 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL14732257 0.90 MAOB (0.40) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL15213890 0.89 MAOB (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL20632499 0.89 MAOB (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL21636051 0.89 MAOB (0.42) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL14732295 0.89 MAOB (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL25832740 0.88 ALDH1A1 (0.43) KMT2AKDM4EMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020127165-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed