SCHEMBL17874232

SCHEMBL17874232

Cc1cc(OC(C)C)c(CO)c(OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT3 P40763 1/20 0.39
MCL1 Q07820 1/20 0.39
DAPK1 P53355 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 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
SCHEMBL18496621 0.89 LMNA (0.40) MEN1KMT2ALMNAHTTTSHR
SCHEMBL17330386 0.89 L3MBTL1 (0.41) LMNAHTTTSHRMAPK1ALDH1A1
SCHEMBL18526223 0.88 MEN1 (0.46) MEN1KMT2ALMNAHTTTSHR
SCHEMBL17330449 0.86 L3MBTL1 (0.44) HTTALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL31026204 0.86 L3MBTL1 (0.44) HTTALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL17874266 0.85 AOC3 (0.44) MEN1KMT2ALMNAHTTTSHR
SCHEMBL17874259 0.82 MEN1 (0.47) MEN1KMT2ALMNAHTTTSHR
SCHEMBL19206098 0.82 L3MBTL1 (0.39) LMNAHTTTSHRMAPK1ALDH1A1
SCHEMBL17874271 0.82 MEN1 (0.39) MEN1KMT2ALMNAHTTTSHR
SCHEMBL15814471 0.81 L3MBTL1 (0.48) MEN1KMT2ALMNAHTTTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025493-A1 QUINOLINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2017025493-A1 QUINOLINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-16 WO disclosed
WO-2016102493-A1 IMIDAZOPYRIDINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed
WO-2016102493-A1 IMIDAZOPYRIDINE EZH2 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-30 WO disclosed