SCHEMBL554382

SCHEMBL554382

O=P(O)(O)Oc1c(Cl)cc(Cl)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
INPPL1 O15357 9/20 0.44
INPP5A Q14642 6/20 0.44
INPP5B P32019 2/20 0.44
SRC P12931 2/20 0.42
AKT1 P31749 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC2A1 P11166 1/20 0.36

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
SCHEMBL25273082 0.77 CYP2A6 (0.46) MEN1MAPTKMT2ACYP1A2INPPL1
SCHEMBL10836723 0.75 MAPT (0.44) MEN1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL29243294 0.75 GPR84 (0.46) MEN1KMT2ACYP1A2CYP2C19INPPL1
SCHEMBL25278049 0.73 SRC (0.42) MEN1MAPTKMT2AINPPL1INPP5A
SCHEMBL25259132 0.72 INPPL1 (0.48) INPPL1INPP5AINPP5BSRCAKT1
SCHEMBL25222316 0.72 INPPL1 (0.59) MAPTKMT2AINPPL1INPP5AINPP5B
SCHEMBL27610136 0.72 GPR84 (0.65) MEN1KMT2ACYP1A2CYP2C19INPPL1
SCHEMBL23387016 0.71 ALDH1A1 (0.58) MEN1MAPTKMT2ACYP1A2CYP2C19
SCHEMBL2246482 0.70 NR4A2 (0.47) MEN1MAPTKMT2ACYP1A2NPSR1
SCHEMBL7594502 0.69 SRC (0.56) INPPL1INPP5AINPP5BSRCAKT1

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-8318509-B2 Two-phase optical assays for analytes of no intrinsic opitcal contrast SAUNDERS PAUL ALEXANDER (US) 2012-11-27 US disclosed
US-20120034632-A1 TWO-PHASE OPTICAL ASSAYS FOR ANALYTES OF NO INTRINSIC OPITCAL CONTRAST SAUNDERS PAUL A (US) 2012-02-09 US disclosed