SCHEMBL21390635

SCHEMBL21390635

C=CCc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccn7)nc(-c7ccccn7)n6)c5)c4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 1/20 0.46
HIF1A Q16665 5/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PTGER2 P43116 1/20 0.39
PTGS2 P35354 1/20 0.39
GRM5 P41594 4/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 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
SCHEMBL21390622 0.94 HIF1A (0.47) KDM4ETDP1SLC2A1HIF1AALDH1A1
SCHEMBL21390726 0.91 KDM4E (0.46) KDM4ETDP1SLC2A1HIF1AALDH1A1
SCHEMBL21390637 0.90 KDM4E (0.45) KDM4ETDP1SLC2A1HIF1AALDH1A1
SCHEMBL21390623 0.88 KDM4E (0.43) KDM4ETDP1SLC2A1HIF1AALDH1A1
SCHEMBL9796794 0.84 HRH3 (0.52) KDM4ETDP1SLC2A1HIF1AALOX15
SCHEMBL29725141 0.84 HRH3 (0.52) KDM4ETDP1SLC2A1HIF1AALOX15
SCHEMBL21390604 0.84 PTGS2 (0.48) TDP1ALDH1A1L3MBTL1SMN1; SMN2PTGER2
SCHEMBL13154428 0.83 KDM4E (0.69) KDM4ETDP1HIF1AALDH1A1ALOX15
SCHEMBL21390728 0.82 MEN1 (0.47) KDM4ETDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21390281 0.81 SLC2A1 (0.41) KDM4ETDP1SLC2A1HIF1AALDH1A1

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