SCHEMBL6235977

SCHEMBL6235977

COc1cc(CNC(C)c2ncc(C)s2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
BCHE P06276 3/20 0.42
LMNA P02545 4/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 1/20 0.41
CTSA P10619 3/20 0.39
HTT P42858 1/20 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
SCHEMBL6231706 0.88 LMNA (0.53) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6231703 0.88 LMNA (0.53) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6233776 0.84 CD274 (0.45) KMT2AMEN1TDP1
SCHEMBL6230535 0.82 CD274 (0.46) KMT2AMEN1TDP1BCHECTSA
SCHEMBL6233814 0.82 FFAR4 (0.45) KMT2AMEN1TDP1ALDH1A1BCHE
SCHEMBL6232051 0.81 MEN1 (0.51) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6230153 0.81 MEN1 (0.51) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL6237847 0.81 BCHE (0.54) KMT2AMEN1MAPK1NPSR1BCHE
SCHEMBL6237852 0.81 BCHE (0.54) KMT2AMEN1MAPK1NPSR1BCHE
SCHEMBL6233689 0.80 CD274 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed