SCHEMBL15066558

SCHEMBL15066558

O=[N+]([O-])c1ccccc1C1C=Cc2c3c(ccc2=C1)=CC(c1ccccc1[N+](=O)[O-])C=C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CUL4A Q13619 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 5/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35
GSR P00390 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7186078 0.70 KMT2A (0.45) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL17440889 0.69 KMT2A (0.41) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL4947346 0.68 CACNA1D (0.49) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL11451918 0.66 GPR35 (0.50) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL11451916 0.66 GPR35 (0.50) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL3253975 0.65 HSD17B10 (0.47) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL31525035 0.65 HSD17B10 (0.47) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL29525039 0.65 ALDH1A1 (0.48) KMT2AKDM4EMAPTMEN1GAA
SCHEMBL10275885 0.65 KDM4E (0.42) KMT2AKDM4EMAPTMEN1GAA
Ethylene SCHEMBL27275849 0.64 HSD17B10 (0.61) KMT2AMEN1L3MBTL1HSD17B10TDP1

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
WO-2013100507-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed