SCHEMBL17874271

SCHEMBL17874271

Cc1cc(OC(C)C)c(CN=[N+]=[N-])c(OCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
STAT3 P40763 1/20 0.35
BRD4 O60885 1/20 0.35
DAPK1 P53355 1/20 0.35
HTR1A P08908 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL18496686 0.91 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17874234 0.87 AOC3 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL18526460 0.84 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL17874288 0.84 L3MBTL1 (0.36) MEN1KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL18496629 0.82 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1DAPK1
SCHEMBL18526223 0.82 MEN1 (0.46) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17874232 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17874321 0.81 C5AR1 (0.39) SMN1; SMN2L3MBTL1LMNAHTTSTAT3
SCHEMBL17874259 0.77 MEN1 (0.47) MEN1KMT2ASMN1; SMN2POLBCYP1A2
SCHEMBL17330386 0.74 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1LMNAMAPK1HTT

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