SCHEMBL4709935

SCHEMBL4709935

CN(C)c1ccc(Cc2nc3cc4c5c(c(=O)oc4cc3o2)CCCC5)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 10/20 0.44
ALDH1A2 O94788 2/20 0.44
ALDH2 P05091 2/20 0.44
ALDH1B1 P30837 2/20 0.44
KDM4E B2RXH2 8/20 0.43
HSD17B10 Q99714 8/20 0.43
HPGD P15428 7/20 0.43
TSHR P16473 6/20 0.43
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4709473 0.83 ALDH1A1 (0.45) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL8243431 0.81 ALDH1A1 (0.56) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4710884 0.74 ALDH1A1 (0.59) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4790015 0.72 ALDH1A1 (0.53) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL194522 0.71 MAOA (0.61) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4709482 0.71 ALDH1A1 (0.52) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL8244489 0.71 ALDH1A1 (0.55) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4708821 0.69 ALDH1A1 (0.47) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4709072 0.69 ALDH1A1 (0.47) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1
SCHEMBL4713181 0.69 ELANE (0.53) MAPTALDH1A1ALDH1A2ALDH2ALDH1B1

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