SCHEMBL17874239

SCHEMBL17874239

CCOC(=O)c1c(OCC(F)(F)F)cc(C)nc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 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
SCHEMBL17874312 0.89 KMT2A (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL17330420 0.85 KMT2A (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL30639502 0.83 KMT2A (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL27032851 0.83 KMT2A (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL17874270 0.83 LMNA (0.46) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL18526459 0.82 KMT2A (0.49) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL18496687 0.81 LMNA (0.44) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL17330425 0.81 TDP1 (0.51) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL17874263 0.81 F2 (0.47) KMT2AMEN1HSP90AA1NPC1RAB9A
SCHEMBL5372093 0.79 AGTR1 (0.55) KMT2AMEN1HSP90AA1NPC1RAB9A

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