SCHEMBL17874263

SCHEMBL17874263

CCOC(=O)c1c(OCC2CCC2)cc(C)nc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.47
ADORA3 P0DMS8 3/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
C5AR1 P21730 1/20 0.39
PKM P14618 1/20 0.39
ADAM17 P78536 1/20 0.39
AGTR1 P30556 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.86 KMT2A (0.47) ADORA3KMT2AMEN1HSP90AA1NPC1
SCHEMBL17887400 0.83 F2 (0.38) F2ADORA3LMNAMAPTALDH1A1
SCHEMBL17330420 0.83 KMT2A (0.47) F2ADORA3KMT2AMEN1HSP90AA1
SCHEMBL27032851 0.81 KMT2A (0.47) F2KMT2AMEN1HSP90AA1NPC1
SCHEMBL30639502 0.81 KMT2A (0.47) F2KMT2AMEN1HSP90AA1NPC1
SCHEMBL17874239 0.81 KMT2A (0.43) ADORA3KMT2AMEN1HSP90AA1NPC1
SCHEMBL17874256 0.80 C5AR1 (0.42) C5AR1ADAM17SMN1; SMN2RBP4TTR
SCHEMBL17874270 0.80 LMNA (0.46) ADORA3KMT2AMEN1HSP90AA1NPC1
SCHEMBL17874252 0.80 C5AR1 (0.41) LMNAC5AR1ADAM17SMN1; SMN2RBP4
SCHEMBL18526459 0.79 KMT2A (0.49) ADORA3KMT2AMEN1HSP90AA1NPC1

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