SCHEMBL17845899

SCHEMBL17845899

O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1OP(=O)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TMPRSS4 Q9NRS4 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
P2RX1 P51575 1/20 0.49
STK39 Q9UEW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PNLIP P16233 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PARG Q86W56 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KCNMA1 Q12791 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL17859075 0.93 ALDH1A1 (0.47) ALDH1A1TMPRSS4MEN1KMT2ASTK39
SCHEMBL17845884 0.88 ALDH1A1 (0.53) ALDH1A1TMPRSS4MEN1KMT2AP2RX1
SCHEMBL17845900 0.86 ALDH1A1 (0.56) ALDH1A1TMPRSS4MEN1KMT2AP2RX1
SCHEMBL17858985 0.82 TDP1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17859065 0.81 ALDH1A1 (0.49) ALDH1A1TMPRSS4MEN1KMT2ASTK39
SCHEMBL17845901 0.80 ALDH1A1 (0.52) ALDH1A1TMPRSS4MEN1KMT2AP2RX1
SCHEMBL17845911 0.79 STK39 (0.54) MEN1KMT2ASTK39PNLIPMAPT
SCHEMBL17845909 0.79 P2RX1 (0.58) ALDH1A1TMPRSS4MEN1KMT2AP2RX1
SCHEMBL17845896 0.77 NPC1 (0.53) ALDH1A1MEN1KMT2ASTK39PNLIP
SCHEMBL17858984 0.77 LRRK2 (0.55) ALDH1A1TMPRSS4MEN1KMT2AP2RX1

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
WO-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 WO disclosed
WO-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 WO disclosed