SCHEMBL8994708

SCHEMBL8994708

COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1I

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 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
SCHEMBL8994755 0.87 HPGD (0.39) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL14259711 0.84 KMT2A (0.60) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL5715738 0.83 KMT2A (0.51) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL5829821 0.82 ALDH1A1 (0.43) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL8994715 0.81 KMT2A (0.49) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL18486442 0.80 KMT2A (0.60) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL29559391 0.78 KMT2A (0.54) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL6130232 0.78 HTT (0.46) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL8908268 0.78 L3MBTL1 (0.44) KMT2AMEN1HTTPOLBL3MBTL1
SCHEMBL5572022 0.78 KMT2A (0.50) KMT2AMEN1HTTALDH1A1POLB

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