SCHEMBL17874237

SCHEMBL17874237

Cc1cc(OCC(F)(F)F)c(CN)c(OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.38
BRD4 O60885 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL17874273 0.88 L3MBTL1 (0.40) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL17874288 0.83 L3MBTL1 (0.36) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL21419430 0.82 AOC3 (0.41) AOC3L3MBTL1TSHRSTAT3HTT
SCHEMBL18526223 0.81 MEN1 (0.46) AOC3L3MBTL1TSHRSTAT3HTT
SCHEMBL24644870 0.80 L3MBTL1 (0.46) L3MBTL1TSHRSTAT3HTTSMN1; SMN2
SCHEMBL20160880 0.79 L3MBTL1 (0.48) AOC3L3MBTL1TSHRSTAT3HTT
SCHEMBL18526569 0.78 AOC3 (0.43) AOC3L3MBTL1TSHRSTAT3HTT
SCHEMBL17874239 0.77 KMT2A (0.43) L3MBTL1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL20160832 0.76 TSHR (0.48) AOC3L3MBTL1TSHRSTAT3HTT
Hydrochloric Acid SCHEMBL17874265 0.73 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPTHCRTR1HCRTR2

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