SCHEMBL17874259

SCHEMBL17874259

Cc1cc(OC(C)C)c(COS(C)(=O)=O)c(OCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
STAT3 P40763 1/20 0.36
DAPK1 P53355 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL18526414 0.90 NPSR1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1HTT
SCHEMBL17874319 0.86 AOC3 (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1HTT
SCHEMBL18526223 0.82 MEN1 (0.46) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17874232 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17887387 0.80 FFAR2 (0.38) L3MBTL1CYP19A1
SCHEMBL17874271 0.77 MEN1 (0.39) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17874270 0.73 LMNA (0.46) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL18526413 0.73 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1HTT
SCHEMBL18496621 0.73 LMNA (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1HTT
SCHEMBL18526569 0.73 AOC3 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1HTT

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