SCHEMBL6529645

SCHEMBL6529645

c1ccc(-c2c(Nc3ccc4ccccc4c3)ccc(-c3ccc(Nc4ccc5ccccc5c4)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 7/20 0.42
CYP26A1 O43174 2/20 0.40
SNCA P37840 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KDR P35968 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL29732844 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL29613117 0.90 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL516553 0.90 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL31265542 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL14676196 0.82 NPSR1 (0.48) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL19518124 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL6131761 0.81 HPGD (0.52) HPGDMAPTSNCAMEN1KMT2A
SCHEMBL530475 0.81 NPSR1 (0.57) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1727357 0.81 CYP3A4 (0.57) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL29352577 0.81 NPSR1 (0.57) ALDH1A1HPGDMAPTMEN1KMT2A

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-2005107332-A1 ORGANIC LIGHT-EMITTING DEVICES THE UNIVERSITY OF HONG KONG (CN) 2005-11-10 WO claimed