SCHEMBL17845901

SCHEMBL17845901

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TMPRSS4 Q9NRS4 1/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
LRRK2 Q5S007 1/20 0.51
MEN1 O00255 2/20 0.50
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
KCNMA1 Q12791 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.47
P2RX1 P51575 1/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL17845900 0.92 ALDH1A1 (0.56) ALDH1A1TMPRSS4KMT2ANPC1GAA
SCHEMBL17859075 0.88 ALDH1A1 (0.47) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17859065 0.87 ALDH1A1 (0.49) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17845896 0.85 NPC1 (0.53) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL17845889 0.85 TMPRSS4 (0.61) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17859008 0.80 SMN1; SMN2 (0.55) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17845899 0.80 ALDH1A1 (0.51) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17845884 0.79 ALDH1A1 (0.53) ALDH1A1TMPRSS4KMT2ANPC1RAB9A
SCHEMBL17859073 0.76 SGMS2 (0.57) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL17858984 0.75 LRRK2 (0.55) ALDH1A1TMPRSS4KMT2ANPC1RAB9A

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