SCHEMBL4438685

SCHEMBL4438685

COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)C3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 8/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
HSD17B10 Q99714 5/20 0.46
CASP1 P29466 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP7 P55210 2/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 4/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL3325394 0.91 KDM4E (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3325390 0.85 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3320723 0.81 ALDH1A1 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3330012 0.80 ALDH1A1 (0.70) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3322753 0.80 KDM4E (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5330608 0.80 ALDH1A1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3329970 0.78 KDM4E (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3324497 0.76 KDM4E (0.63) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3325688 0.75 KDM4E (0.49) KDM4EALDH1A1MAPTHSD17B10CASP1
SCHEMBL3324914 0.75 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 WO claimed
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 WO disclosed