SCHEMBL24628517

SCHEMBL24628517

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6cccc7c8ccccc8c4c5c67)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
NTSR1 P30989 1/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 2/20 0.35
GRM5 P41594 1/20 0.34
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL24628017 0.94 HPGD (0.40) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628524 0.93 KMT2A (0.38) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628548 0.92 MAPT (0.36) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628528 0.88 MEN1 (0.42) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628815 0.87 MEN1 (0.38) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628075 0.85 ALDH1A1 (0.40) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628554 0.85 PLA2G2A (0.39) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628321 0.85 PLA2G2A (0.39) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL24628533 0.83 MEN1 (0.45) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL17720902 0.83 MEN1 (0.50) KMT2AMEN1HPGDALDH1A1MAPT

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-2022148717-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 WO disclosed