SCHEMBL17412419

SCHEMBL17412419

Clc1cc(-c2ccc(-c3ccccc3)c3ccccc23)nc(-c2ccc(-c3ccccc3)c3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ELANE P08246 1/20 0.43
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPT P10636 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL25649590 0.93 LMNA (0.54) HSP90AA1HSP90AB1KDM4ELMNAELANE
SCHEMBL17412429 0.93 KDM4E (0.54) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL17412397 0.84 KDM4E (0.44) HSP90AA1HSP90AB1KDM4ELMNAELANE
SCHEMBL26626348 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL30601310 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL17412408 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1KDM4EMAPK1KMT2A
SCHEMBL29750648 0.80 KDM4E (0.51) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL21701674 0.80 LMNA (0.51) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL17412427 0.80 KDM4E (0.51) HSP90AA1HSP90AB1KDM4ELMNAMAPK1
SCHEMBL22274007 0.80 KDM4E (0.47) HSP90AA1HSP90AB1KDM4ELMNAMAPK1

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-2016003225-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-01-07 WO disclosed