SCHEMBL5262822

SCHEMBL5262822

O=c1c(Cl)c(CBr)[nH]n1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
DAO P14920 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP3 P42574 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL5264814 0.88 MAPT (0.42) MAPTTHRBMITFPKMHTT
SCHEMBL5264778 0.87 MAPT (0.39) MAPTTHRBHTTKMT2AALDH1A1
SCHEMBL5270916 0.84 DAO (0.45) DAO
SCHEMBL5266153 0.81 CMA1 (0.47) MAPTKMT2AALDH1A1DAOKDM4E
SCHEMBL5266927 0.71 DAO (0.49) PKMALDH1A1DAO
SCHEMBL11455322 0.69 SLC2A1 (0.41) MAPTTHRBRAB9AKMT2AALDH1A1
SCHEMBL5263863 0.66 CMA1 (0.47) MAPTKMT2AALDH1A1DAOKDM4E
SCHEMBL5265429 0.66 OPRM1 (0.32)
SCHEMBL11615177 0.65 SLC11A2 (0.49) MAPTHTTKMT2ADAOKDM4E
SCHEMBL11619429 0.65 KMT2A (0.46) MAPTTHRBRAB9AKMT2AALDH1A1

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-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed