SCHEMBL4886590

SCHEMBL4886590

c1ccc(-c2cc3cccc4c5cc6c(cc5c(c2-c2ccccc2)c34)c2cccc3cccc6c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
HIF1A Q16665 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
GPR84 Q9NQS5 2/20 0.38

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
SCHEMBL2852878 0.93 CYP1A2 (0.46) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL4659613 0.81 KDM4E (0.49) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL4979724 0.81 ALDH1A1 (0.45) MEN1KMT2AKDM4ECYP1A2ERBB2
Quinoline SCHEMBL28002475 0.81 ALDH1A1 (0.44) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL12470668 0.80 ALDH1A1 (0.45) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL12096597 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL4451069 0.78 CYP1A2 (0.52) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL23081351 0.78 CYP1A2 (0.43) MEN1KMT2AKDM4ECYP1A2ERBB2
SCHEMBL22717167 0.78 KDM4E (0.37) MEN1KMT2AKDM4ECYP1A2ACHE
SCHEMBL28287716 0.77 ALDH1A1 (0.47) MEN1KMT2AKDM4ECYP1A2ERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8277955-B2 Aromatic polymer molecule containing a light-emitting molecule for determining a luminescent color region of the light-emitting material, and molecules of polyarylenes and benzene; polyelectrolytes SEIKO EPSON CORPORATION (JP) 2012-10-02 US disclosed
US-20080090102-A1 COMPOUND FOR ORGANIC EL DEVICE AND ORGANIC EL DEVICE SEIKO EPSON CORPORATION (JP) 2008-04-17 US disclosed