SCHEMBL16637489

SCHEMBL16637489

Clc1nc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 7/20 0.37
LMNA P02545 5/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
PRKDC P78527 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
TSHR P16473 4/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL24255827 0.92 ALOX5 (0.44) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL24255927 0.90 ALOX5 (0.45) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL21707250 0.89 ALOX5 (0.46) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL36126766 0.89 ALOX5 (0.46) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL29603481 0.89 ALOX5 (0.45) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL27284445 0.89 ALOX5 (0.51) ALOX5ALDH1A1POLBKDM4EMAPT
SCHEMBL16636998 0.89 ALOX5 (0.45) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL29808342 0.88 ALOX5 (0.50) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL18463347 0.88 ALOX5 (0.50) ALOX5ALDH1A1TDP1POLBKDM4E
SCHEMBL23770379 0.87 ALOX5 (0.49) ALOX5ALDH1A1TDP1POLBKDM4E

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-2015053524-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2015-04-16 WO disclosed