SCHEMBL9712227

SCHEMBL9712227

c1ccc2nc3ccc(-c4ccc5nc6ccccc6cc5c4)cc3cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
MAPT P10636 2/20 0.71
GLA P06280 2/20 0.71
ACHE P22303 1/20 0.71
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 2/20 0.56
HTR3A P46098 1/20 0.52
BACE1 P56817 3/20 0.52
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PDE10A Q9Y233 1/20 0.48
NQO2 P16083 2/20 0.48
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
PTBP1 P26599 1/20 0.45
RCE1 Q9Y256 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
SCHEMBL7933049 0.94 ALDH1A1 (0.62) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL20121223 0.94 MAPT (0.62) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28819755 0.88 SRC (0.55) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL27956641 0.88 MAPT (0.56) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL29200445 0.87 MAPT (0.83) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL24184582 0.87 BACE1 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28193241 0.87 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28201590 0.86 BACE1 (0.62) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL8339 0.84 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL3045498 0.84 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE

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-1992016648-A1 CHEMILUMINESCENT TEST FOR MICROORGANISMS ENVIRONMENTAL TEST SYSTEMS, INC. (US) 1992-10-01 WO disclosed