SCHEMBL8927468

SCHEMBL8927468

O=C(OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc[n+]([O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 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
SCHEMBL112783 0.75 ALDH1A1 (0.53) TDP1KMT2AALDH1A1CYP1A2CYP2D6
Iodide SCHEMBL26905295 0.75 TDP1 (0.69) TDP1KMT2ALMNAALDH1A1MAPK1
SCHEMBL14107747 0.73 LMNA (0.62) TDP1KMT2ALMNAALDH1A1MAPK1
SCHEMBL8927464 0.72 TSHR (0.51) TDP1KMT2ALMNAALDH1A1MAPK1
SCHEMBL8927471 0.70 ACHE (0.55) KMT2ALMNAL3MBTL1TSHRCYP2C19
SCHEMBL4873097 0.70 CA12 (0.58) TDP1KMT2ALMNAALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL25329375 0.69 LMNA (0.50) TDP1KMT2ALMNAALDH1A1MAPK1
SCHEMBL137486 0.68 TDP1 (0.83) TDP1KMT2ALMNAALDH1A1MAPK1
Bromide SCHEMBL20874265 0.68 CYP1A2 (0.49) TDP1ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL38658977 0.68 THRB (0.57) ALDH1A1MAPK1CYP1A2CYP2D6TSHR

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
US-8187791-B2 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORPORATION (JP) 2012-05-29 US disclosed
US-20100075252-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed