SCHEMBL20121223

SCHEMBL20121223

c1ccc2nc3ccc(-c4ccc5nc6ccccc6nc5c4)cc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
GLA P06280 2/20 0.62
HPGD P15428 2/20 0.62
ACHE P22303 1/20 0.62
NQO2 P16083 5/20 0.54
NPC1 O15118 5/20 0.50
POLB P06746 4/20 0.50
RAB9A P51151 4/20 0.50
SRC P12931 1/20 0.47
BACE1 P56817 1/20 0.47
HTR3A P46098 1/20 0.47
PIK3CA P42336 3/20 0.46
PIK3CD O00329 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9712227 0.94 ALDH1A1 (0.71) MAPTALDH1A1GLAHPGDACHE
SCHEMBL22000856 0.88 NQO2 (0.60) MAPTALDH1A1GLAHPGDACHE
SCHEMBL7933049 0.88 ALDH1A1 (0.62) MAPTALDH1A1GLAHPGDACHE
SCHEMBL7173382 0.87 NQO2 (0.62) MAPTALDH1A1GLAHPGDACHE
Hydrochloric Acid SCHEMBL6265381 0.84 NQO2 (0.59) MAPTALDH1A1GLAHPGDACHE
SCHEMBL28819755 0.83 SRC (0.55) MAPTALDH1A1GLAHPGDACHE
SCHEMBL27956641 0.82 MAPT (0.56) MAPTALDH1A1GLAHPGDACHE
SCHEMBL13818412 0.82 NQO2 (0.56) MAPTALDH1A1GLAHPGDACHE
Acridine SCHEMBL29200445 0.82 MAPT (0.83) MAPTALDH1A1GLAHPGDACHE
Acridine SCHEMBL4011318 0.82 MAPT (0.94) MAPTALDH1A1GLAHPGDACHE

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
US-9966544-B2 Phosphorescent metal complex compound radiation emitting component comprising a phosphorescent metal complex compound and method for production of a phosphorescent metal complex compound OSRAM OLED GMBH (DE) 2018-05-08 US disclosed