SCHEMBL3665557

SCHEMBL3665557

CCC(CC)(Oc1ccccc1-c1nc2ccccc2s1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 9/20 0.48
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
TP53 P04637 5/20 0.45
ATM Q13315 2/20 0.45
LMNA P02545 1/20 0.45
HCRTR1 O43613 1/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.43
DDAH1 O94760 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL3012364 0.78 ALDH1A1 (0.52) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL12545566 0.76 MEN1 (0.51) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL25060427 0.75 KDM4E (0.60) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL13522910 0.74 MEN1 (0.51) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL3020584 0.74 KMT2A (0.48) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL30161844 0.73 ALDH1A1 (0.76) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL2088159 0.73 ALDH1A1 (0.76) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL24462096 0.73 NPC1 (0.56) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL25068629 0.73 KDM4E (0.62) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL24556005 0.72 ALDH1A1 (0.57) MEN1ALDH1A1KMT2ANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522394-B1 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2016-12-28 EP disclosed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 EP disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 WO disclosed