SCHEMBL5688592

SCHEMBL5688592

O=c1c(OCO[PH](=O)O)ccc2[nH]c3ccccc3cc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.42
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAO P14920 2/20 0.35
DDO Q99489 1/20 0.35
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL7915702 0.78 KDR (0.51) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL355568 0.75 RAB9A (0.59) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL8049852 0.73 KDR (0.49) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL3750862 0.72 KDR (0.40) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL3735366 0.70 KDR (0.56) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL9690611 0.70 KDR (0.56) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL6510708 0.69 KDR (0.50) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL71078 0.68 KDR (0.56) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL3234457 0.68 KDR (0.56) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL354610 0.68 KDR (0.56) KDRCHEK1KDM4EALDH1A1HPGD

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
EP-1625134-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2006-02-15 EP disclosed
WO-2004101579-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-11-25 WO disclosed