SCHEMBL25966280

SCHEMBL25966280

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc(-n3c4ccccc4c4ccccc43)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 4/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NTSR1 P30989 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGER4 P35408 1/20 0.32
LMNA P02545 2/20 0.32
PTK2B Q14289 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL25966256 1.00 MAPT (0.39) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL21365766 0.97 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL15625707 0.97 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17809376 0.97 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL19769885 0.97 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL21671487 0.97 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL17248256 0.97 MAPT (0.41) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL16260432 0.96 MAPT (0.37) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL16260441 0.96 MAPT (0.40) MAPTMAPK1TSHRNPSR1HSD17B10
SCHEMBL16260427 0.96 MAPT (0.38) MAPTMAPK1TSHRNPSR1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed