SCHEMBL25829808

SCHEMBL25829808

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL25829960 0.97 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL23132559 0.94 KMT2A (0.41) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL15497601 0.91 KDM4E (0.50) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL25828900 0.91 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL18593804 0.90 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL18505348 0.89 KDM4E (0.48) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL19769853 0.87 KDM4E (0.49) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL25829952 0.87 KMT2A (0.39) KMT2AALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL23132555 0.87 KMT2A (0.36) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL25829514 0.86 KMT2A (0.46) KMT2AALDH1A1KDM4EHPGDMAPT

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