SCHEMBL4712015

SCHEMBL4712015

O=c1oc2cc3oc(-c4ccncc4)nc3cc2c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
ALDH1A2 O94788 2/20 0.46
ALDH2 P05091 2/20 0.46
ALDH1B1 P30837 2/20 0.46
HSD17B10 Q99714 8/20 0.45
KDM4E B2RXH2 7/20 0.45
HPGD P15428 6/20 0.45
TSHR P16473 5/20 0.45
PIK3CB P42338 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
PIK3CA P42336 1/20 0.45
CYP1A2 P05177 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A3 P47895 1/20 0.43
MAOA P21397 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4709072 0.89 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4856691 0.86 TSHR (0.51) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4709238 0.81 ALDH1A1 (0.46) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4713288 0.80 HSD17B10 (0.50) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4710884 0.77 ALDH1A1 (0.59) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4708821 0.77 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4708817 0.74 KDM4E (0.43) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4790015 0.74 ALDH1A1 (0.53) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL8238038 0.74 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10
SCHEMBL4709482 0.73 ALDH1A1 (0.52) ALDH1A1ALDH1A2ALDH2ALDH1B1HSD17B10

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
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
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed