SCHEMBL4710491

SCHEMBL4710491

O=c1oc2cc(O)c([N+](=O)[O-])cc2c2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 10/20 0.59
HPGD P15428 7/20 0.59
HSD17B10 Q99714 6/20 0.59
TSHR P16473 6/20 0.59
MAPT P10636 5/20 0.59
GLA P06280 4/20 0.59
GAA P10253 3/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 2/20 0.52
MAOA P21397 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A2 O94788 2/20 0.48

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
SCHEMBL13840361 0.82 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL31653966 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4711791 0.77 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4710620 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL30465071 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL14514720 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4709405 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4711029 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6479574 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4708695 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10TSHR

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
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed