SCHEMBL2651635

SCHEMBL2651635

COC(=O)c1cccc(Oc2ccc(Br)cc2)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.44
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.40
PNLIP P16233 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
GAA P10253 1/20 0.38
BRAF P15056 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
TSPO P30536 2/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7842794 0.82 IRAK4 (0.45) SLC6A3MAPTKMT2AHTTIRAK4
SCHEMBL7795902 0.82 IRAK4 (0.51) SLC6A3MAPTKMT2AIRAK4GAA
SCHEMBL15897488 0.81 SLC6A3 (0.60) SLC6A3MAPTKMT2AHTTMEN1
SCHEMBL2651842 0.80 NR4A2 (0.41) SLC6A3MAPTKMT2AMEN1PNLIP
SCHEMBL7838547 0.78 TSHR (0.43) SLC6A3MAPTKMT2AHTTMEN1
SCHEMBL15880926 0.76 SLC6A3 (0.48) SLC6A3MAPTKMT2AHTTSMN1; SMN2
SCHEMBL12313575 0.73 CXCR5 (0.52) MAPTKMT2AMEN1IRAK4GAA
SCHEMBL5331876 0.73 TSHR (0.58) MAPTKMT2APNLIPIRAK4GAA
SCHEMBL17703257 0.72 HSD17B10 (0.52) SLC6A3MAPTKMT2AHTTMEN1
SCHEMBL7755868 0.71 LMNA (0.51) SLC6A3MAPTKMT2AHTTMEN1

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-1718625-A1 COMPOUNDS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed