SCHEMBL16218666

SCHEMBL16218666

[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4c5sc6ccccc6c5c5ccccc5c43)nc3ccccc23)c([2H])c1[2H]

nearest known ligand 0.34

Predicted protein targets (top 7)

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

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
SCHEMBL16231186 0.93 HPGD (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16218672 0.93 HPGD (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16231178 0.92 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15003494 0.90 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17305711 0.89
SCHEMBL16218691 0.89 PIK3CA (0.31)
SCHEMBL17305677 0.88
SCHEMBL15003801 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16218676 0.87
SCHEMBL17299498 0.87 ALDH1A1 (0.33) 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
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed