SCHEMBL25829960

SCHEMBL25829960

O=c1c2cc3c(cc2c2cc4c5ccccc5n(-c5ccccc5)c4cc2n1-c1nc(-c2ccccc2)c2ccccc2n1)c1ccccc1n3-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CFTR P13569 1/20 0.37

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
SCHEMBL25829808 0.97 KMT2A (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23132559 0.90 KMT2A (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL15497601 0.90 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL25828900 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL18593804 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL24597948 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL18505348 0.87 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL25829519 0.86 KMT2A (0.44) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL19769853 0.86 KDM4E (0.49) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL24597949 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1

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