SCHEMBL25830319

SCHEMBL25830319

O=c1c2ccc3c(c4ccccc4n3-c3ccccc3)c2c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1c2ccccc2nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
PDE7A Q13946 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL25830316 0.88 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL25830508 0.84 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL25830499 0.78 KDM4E (0.49) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL25830604 0.78 KMT2A (0.42) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL25830315 0.78 KDM4E (0.51) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL25830506 0.78 KDM4E (0.51) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL22011947 0.78 L3MBTL1 (0.55) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL17248322 0.78 L3MBTL1 (0.62) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL23260004 0.76 KDM4E (0.46) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL23259624 0.76 ALOX12 (0.39) KDM4EL3MBTL1NPC1RAB9AALDH1A1

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