SCHEMBL9624722

SCHEMBL9624722

NNc1ccc(C(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HSD17B14 Q9BPX1 1/20 0.53
DEGS1 O15121 1/20 0.51
ACHE P22303 1/20 0.50
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL30250451 0.83 CES2 (0.74) CES2CES1NPC1RAB9AMEN1
SCHEMBL29613672 0.83 CES2 (0.74) CES2CES1NPC1RAB9AMEN1
SCHEMBL941698 0.83 CES2 (0.74) CES2CES1NPC1RAB9AMEN1
SCHEMBL22212597 0.83 ACHE (0.54) CES2CES1NPC1RAB9AMEN1
SCHEMBL29834246 0.81 MEN1 (0.75) CES2CES1NPC1RAB9AMEN1
SCHEMBL21439174 0.81 MAPK13 (0.67) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL124894 0.81 MEN1 (0.75) CES2CES1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL27733605 0.81 CES2 (0.71) CES2CES1NPC1RAB9AMEN1
SCHEMBL27826301 0.81 CES2 (0.71) CES2CES1NPC1RAB9AMEN1
SCHEMBL4853473 0.81 MAPK13 (0.52) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325825-B1 PHOSPHORESCENT MATERIALS THE POST OFFICE (GB) 1992-09-16 EP disclosed
US-5100580-A Polycyclic aromatic ketones, printing ink and paper coating, activator in amino resin matrix THE POST OFFICE (GB) 1992-03-31 US disclosed
EP-0325825-A1 Phosphorescent materials THE POST OFFICE (GB) 1989-08-02 EP disclosed