SCHEMBL27596282

SCHEMBL27596282

Cc1cc(Br)c2oc(CCOC=O)cc(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.46
CSNK2A2 P19784 10/20 0.39
CSNK2B P67870 10/20 0.39
CSNK2A1 P68400 10/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL27615056 0.85 SIRT2 (0.62) SIRT2CSNK2A2CSNK2BCSNK2A1LOXL2
SCHEMBL27596275 0.85 SIRT2 (0.43) SIRT2LOXL2
SCHEMBL28754013 0.81 LOXL2 (0.59) SIRT2LOXL2MAPTSMN1; SMN2
SCHEMBL27615053 0.78 CDK2 (0.43) MAPTTHRB
Ethoxycarbonyl Group SCHEMBL27596281 0.70 ALDH1A1 (0.35) SIRT2CSNK2A2CSNK2BCSNK2A1ESR1
SCHEMBL27452296 0.70 GPR35 (0.34) SIRT2CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL28290282 0.69 PPARG (0.60) CSNK2A2CSNK2BCSNK2A1MAPTTHRB
SCHEMBL28029442 0.68 LOXL2 (0.37) LOXL2MAOB
SCHEMBL23335266 0.66 ALOX15 (0.44) SIRT2CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL23887012 0.66 CSNK2A2 (0.40) SIRT2CSNK2A2CSNK2BCSNK2A1LOXL2

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
CN-1610671-A Therapeutic quinoline compounds having 5-HT-antagonistic properties ASTRAZENECA AB (SE) 2005-04-27 CN disclosed
CN-1608054-A Therapeutic quinolone compounds having 5-HT-antagonistic properties ASTRAZENECA AB (SE) 2005-04-20 CN disclosed