SCHEMBL17874288

SCHEMBL17874288

Cc1cc(OCC(F)(F)F)c(CN=[N+]=[N-])c(OCc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.34
SQOR Q9Y6N5 1/20 0.34
TSHR P16473 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17874234 0.88 AOC3 (0.39) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL17874271 0.84 MEN1 (0.39) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL17874273 0.83 L3MBTL1 (0.40) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL17874237 0.83 AOC3 (0.41) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL18526460 0.83 L3MBTL1 (0.42) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL17874321 0.82 C5AR1 (0.39) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL18496686 0.81 ALDH1A1 (0.36) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL24644870 0.75 L3MBTL1 (0.46) L3MBTL1LMNASTAT3HTTSMN1; SMN2
SCHEMBL18496629 0.73 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL17874239 0.72 KMT2A (0.43) L3MBTL1LMNASMN1; SMN2TSHRHCRTR1

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
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