SCHEMBL21364152

SCHEMBL21364152

c1ccc(-c2nc(-n3c4cc5nc6ccccc6n5cc4c4ccc5ccccc5c43)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.32
ALK Q9UM73 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL21622714 0.93 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23917109 0.92 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21622733 0.87 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21364413 0.86 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21622724 0.86 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21622723 0.85 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23917308 0.85 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21622717 0.82 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18026413 0.82 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21622763 0.80 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1

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-2019177243-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2019-09-19 WO disclosed