SCHEMBL17845900

SCHEMBL17845900

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
P2RX1 P51575 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNMA1 Q12791 1/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
AHR P35869 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PNLIP P16233 1/20 0.49

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
SCHEMBL17845901 0.92 ALDH1A1 (0.52) ALDH1A1TMPRSS4P2RX1MEN1KMT2A
SCHEMBL17845896 0.90 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL17845889 0.89 TMPRSS4 (0.61) ALDH1A1TMPRSS4P2RX1MEN1KMT2A
SCHEMBL17845899 0.86 ALDH1A1 (0.51) ALDH1A1TMPRSS4P2RX1MEN1KMT2A
SCHEMBL17845884 0.86 ALDH1A1 (0.53) ALDH1A1TMPRSS4P2RX1MEN1KMT2A
SCHEMBL17858984 0.82 LRRK2 (0.55) ALDH1A1TMPRSS4P2RX1MEN1KMT2A
SCHEMBL17859075 0.80 ALDH1A1 (0.47) ALDH1A1TMPRSS4MEN1KMT2AKCNMA1
SCHEMBL17859073 0.80 SGMS2 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL17859065 0.79 ALDH1A1 (0.49) ALDH1A1TMPRSS4MEN1KMT2AKCNMA1
SCHEMBL24438825 0.79 TMPRSS4 (0.64) ALDH1A1TMPRSS4P2RX1MEN1KMT2A

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