SCHEMBL21390623

SCHEMBL21390623

C=CCc1cccc(-c2cc(-c3nc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)nc(-c4ccccn4)n3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC2A1 P11166 1/20 0.43
HIF1A Q16665 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
PTGS2 P35354 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
METAP1 P53582 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
SCHEMBL21390622 0.89 HIF1A (0.47) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390635 0.88 KDM4E (0.47) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390620 0.85 MAPT (0.41) KDM4ELMNAALDH1A1PTGS2MEN1
SCHEMBL21390618 0.83 CYP19A1 (0.49) KDM4ETDP1HIF1ALMNAALDH1A1
SCHEMBL9796794 0.83 HRH3 (0.52) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL29725141 0.83 HRH3 (0.52) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390637 0.81 KDM4E (0.45) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390602 0.79 PTGS2 (0.50) KDM4ESMN1; SMN2LMNAALDH1A1PTGS2
SCHEMBL21390726 0.79 KDM4E (0.46) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390728 0.78 MEN1 (0.47) KDM4ETDP1SMN1; SMN2LMNAALDH1A1

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