SCHEMBL25830497

SCHEMBL25830497

O=c1c2cc3c(cc2c2c(ccc4c5ccccc5n(-c5ccccc5)c42)n1-c1ccccc1)c1ccccc1n3-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
BRCA1 P38398 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.41
PGR P06401 4/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL25830605 1.00 KDM4E (0.46) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25830315 0.89 KDM4E (0.51) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25830506 0.89 KDM4E (0.51) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25830606 0.88 KDM4E (0.50) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL27426968 0.88 L3MBTL1 (0.56) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL27426873 0.88 L3MBTL1 (0.56) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25830499 0.87 KDM4E (0.49) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25829015 0.87 KDM4E (0.51) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25828895 0.87 KDM4E (0.51) KDM4EATML3MBTL1KMT2AALDH1A1
SCHEMBL25829010 0.87 KDM4E (0.51) KDM4EATML3MBTL1KMT2AALDH1A1

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