SCHEMBL25829803

SCHEMBL25829803

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1ccccc1)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
BRCA1 P38398 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PGR P06401 4/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK8 P45983 2/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL25829737 1.00 KDM4E (0.51) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL22198480 0.99 KDM4E (0.53) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL25829305 0.96 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL25837761 0.96 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL25829307 0.96 KDM4E (0.50) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL23259860 0.96 L3MBTL1 (0.53) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL25829196 0.94 KDM4E (0.58) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL25830310 0.94 KDM4E (0.58) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL14933564 0.93 MAPK1 (0.54) KDM4EL3MBTL1ATMKMT2AMAPK1
SCHEMBL14933376 0.93 KDM4E (0.60) KDM4EL3MBTL1ATMKMT2AMAPK1

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-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed