SCHEMBL16218672

SCHEMBL16218672

[2H]c1c([2H])c([2H])c(-c2nc(-n3c4ccccc4c4c5c6ccccc6sc5c5ccccc5c43)nc3ccccc23)c([2H])c1[2H]

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16231178 0.93 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL16218666 0.93 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL17299498 0.91 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL16231186 0.90 HPGD (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL15003506 0.90 ALDH1A1 (0.44) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL16218694 0.89 PIK3CA (0.32)
SCHEMBL17305790 0.88
SCHEMBL17305831 0.88
SCHEMBL15003542 0.88 ALDH1A1 (0.42) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL17299507 0.87 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPTNPSR1

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