SCHEMBL4274245

SCHEMBL4274245

C=CCc1cccc2oc(=O)c(N)c(CC=C)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 5/20 0.39
HSD17B10 Q99714 7/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.34
NQO1 P15559 1/20 0.34
SRD5A1 P18405 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL7192591 0.79 GAA (0.57) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL9502514 0.75 ELANE (0.49) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3988877 0.73 GAA (0.57) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL28351931 0.72 ELANE (0.46) KDM4EALDH1A1GAAHSD17B10GABRA1
SCHEMBL28194247 0.70 MAOA (0.53) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL167075 0.69 GABRA1 (0.54) KDM4EALDH1A1GAAHSD17B10GABRA1
SCHEMBL7201805 0.68 IGF1R (0.42) KDM4EALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL18136 0.67 GABRA1 (0.56) KDM4EALDH1A1GAAHSD17B10GABRA1
SCHEMBL1570705 0.67 GABRA1 (0.47) KDM4EALDH1A1GAAHSD17B10GABRA1
SCHEMBL3267547 0.66 MAOA (0.54) KDM4EALDH1A1HPGDCYP1A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023597-A1 Single Nucleotide Polymorphism Detection from Unamplified Genomic DNA SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-01-22 US disclosed
EP-2002020-A2 SINGLE NUCLEOTIDE POLYMORPHISM DETECTION FROM UNAMPLIFIED GENOMIC DNA Siemens Healthcare Diagnostics Inc. (US) 2008-12-17 EP disclosed
WO-2007120843-A2 SINGLE NUCLEOTIDE POLYMORPHISM DETECTION FROM UNAMPLIFIED GENOMIC DNA SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2007-10-25 WO disclosed