SCHEMBL21390586

SCHEMBL21390586

C=CCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc(-c4cccc5ccccc45)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FNTA P49354 1/20 0.36

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
SCHEMBL21390585 0.87 IDH1 (0.43) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21390641 0.87 IDH1 (0.43) L3MBTL1KDM4EALDH1A1MAPTHPGD
SCHEMBL21390739 0.85 PTGS2 (0.43) TDP1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL23370430 0.85 MAPT (0.53) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18270319 0.85 MAPT (0.53) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18270310 0.85 MAPT (0.53) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18270339 0.85 MAPT (0.53) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18270347 0.85 MAPT (0.53) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18327634 0.84 MAPT (0.51) TDP1L3MBTL1KDM4EALDH1A1TP53
SCHEMBL18270312 0.84 ALDH1A1 (0.51) TDP1L3MBTL1KDM4EALDH1A1TP53

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-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed