SCHEMBL28388435

SCHEMBL28388435

O=P(Oc1ccc(Br)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ CA12 O43570 5/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA4 P22748 5/20 0.42
▸ CA5A P35218 5/20 0.42
▸ CA7 P43166 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ CA5B Q9Y2D0 5/20 0.42
▸ SRC P12931 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL35394 0.89 L3MBTL1 (0.60) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL331195 0.85 L3MBTL1 (0.67) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL29034881 0.84 TDP1 (0.73) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL9165442 0.83 L3MBTL1 (0.54) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9163448 0.83 L3MBTL1 (0.54) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL29207963 0.83 L3MBTL1 (0.64) TDP1L3MBTL1MEN1KMT2ALMNA
Phosphine SCHEMBL28875449 0.83 L3MBTL1 (0.64) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL14995283 0.82 L3MBTL1 (0.52) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL29034883 0.81 CA2 (0.61) TDP1L3MBTL1MEN1KMT2ALMNA
SCHEMBL20710845 0.80 L3MBTL1 (0.50) TDP1L3MBTL1MEN1KMT2AALDH1A1

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
CN-110903316-B Phosphonate compound and preparation method and application thereof 中南大学 2021-03-02 — — CN disclosed
CN-110903316-A Phosphonate compound and preparation method and application thereof 中南大学 2020-03-24 — — CN disclosed
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