SCHEMBL21390622

SCHEMBL21390622

C=CCc1cccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.47
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PTGER2 P43116 1/20 0.41
GRM5 P41594 1/20 0.40
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KLF5 Q13887 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL21390635 0.94 KDM4E (0.47) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL21390623 0.89 KDM4E (0.43) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL21390637 0.89 KDM4E (0.45) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL21390726 0.88 KDM4E (0.46) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL21390285 0.84 PRKCI (0.47) SMN1; SMN2PTGS2PTGER2RAB9AMAPT
SCHEMBL21390292 0.81 CYP19A1 (0.44) HIF1AKDM4ETDP1SMN1; SMN2LMNA
SCHEMBL21390604 0.81 PTGS2 (0.48) TDP1SMN1; SMN2PTGS2ALDH1A1PTGER2
SCHEMBL29725141 0.81 HRH3 (0.52) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL9796794 0.81 HRH3 (0.52) HIF1AKDM4ETDP1SLC2A1SMN1; SMN2
SCHEMBL25449311 0.81 KDM4E (0.67) HIF1AKDM4ETDP1SMN1; SMN2LMNA

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