SCHEMBL28067573

SCHEMBL28067573

O=P(OCc1ccccc1)(Oc1ccccc1)c1ccccc1.[Ir]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ TSHR P16473 1/20 0.50
▸ CA12 O43570 8/20 0.48
▸ CA1 P00915 8/20 0.48
▸ CA2 P00918 8/20 0.48
▸ CA4 P22748 8/20 0.48
▸ CA5A P35218 8/20 0.48
▸ CA7 P43166 8/20 0.48
▸ CA9 Q16790 8/20 0.48
▸ CA5B Q9Y2D0 8/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ELANE P08246 1/20 0.42
▸ PRTN3 P24158 1/20 0.42
▸ SRC P12931 2/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ LAP3 P28838 1/20 0.41

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
SCHEMBL28046271 0.98 TDP1 (0.66) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL27995285 0.89 TDP1 (0.53) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL27995095 0.87 L3MBTL1 (0.51) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL29113254 0.85 L3MBTL1 (0.58) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL5400948 0.85 TSHR (0.61) TDP1L3MBTL1TSHRCA2MEN1
SCHEMBL27995302 0.84 PARP10 (0.60) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL27747942 0.81 L3MBTL1 (0.61) TDP1L3MBTL1CA12CA1CA2
SCHEMBL561190 0.79 L3MBTL1 (1.00) TDP1L3MBTL1CA12CA1CA2
SCHEMBL10634585 0.79 L3MBTL1 (0.68) TDP1L3MBTL1TSHRCA12CA1
SCHEMBL11128694 0.79 CA12 (0.70) TDP1L3MBTL1CA12CA1CA2

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-105612146-A Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL IND LTD 2016-05-25 — — CN disclosed
CN-105612628-A Charge-transporting varnish NISSAN CHEMICAL IND LTD 2016-05-25 — — CN disclosed
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