SCHEMBL3117237

SCHEMBL3117237

CN(CCOc1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
PKM P14618 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
PPARG P37231 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
RARG P13631 1/20 0.48
RXRA P19793 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
ADRB2 P07550 1/20 0.47
GMNN O75496 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL7920967 0.87 KMT2A (0.60) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL7914462 0.86 PPARG (0.58) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL3117214 0.85 KMT2A (0.59) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL5374848 0.83 PPARG (0.61) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL4622907 0.83 KMT2A (0.57) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL5381839 0.83 PPARG (0.58) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL1201631 0.82 MAPT (0.66) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL13674890 0.81 KMT2A (0.58) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL3127846 0.80 KMT2A (0.57) KMT2AMAPTALDH1A1KDM4EPKM
SCHEMBL7822770 0.80 PPARG (0.55) KMT2AMAPTALDH1A1KDM4EPKM

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
WO-2010013141-A2 SUBSTANTIALLY PURE ROSIGLITAZONE HYDROGEN SULFATE ACTAVIS GROUP PTC EHF (IS) 2010-02-04 WO claimed
WO-2010013141-A2 SUBSTANTIALLY PURE ROSIGLITAZONE HYDROGEN SULFATE ACTAVIS GROUP PTC EHF (IS) 2010-02-04 WO disclosed
WO-2010013141-A2 SUBSTANTIALLY PURE ROSIGLITAZONE HYDROGEN SULFATE ACTAVIS GROUP PTC EHF (IS) 2010-02-04 WO disclosed