SCHEMBL8994715

SCHEMBL8994715

COc1ccc(P(=O)(c2ccccc2)c2ccccc2)c(I)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL7212732 0.84 KMT2A (0.51) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL7707969 0.83 ALDH1A1 (0.39) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL6130205 0.83 KMT2A (0.48) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL8994708 0.81 KMT2A (0.49) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL6130232 0.76 HTT (0.46) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL14754995 0.74 KMT2A (0.62) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL14259711 0.74 KMT2A (0.60) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL7615988 0.73 KMT2A (0.50) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL4445330 0.73 KMT2A (0.50) KMT2AMEN1HTTL3MBTL1MAPT
SCHEMBL7622693 0.71 TUBB4A (0.49) KMT2AMEN1HTTL3MBTL1MAPT

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
US-5488172-A Chiral phosphorus compounds HOFFMANN-LA ROCHE INC. (US) 1996-01-30 US disclosed