SCHEMBL4444820

SCHEMBL4444820

Nc1ccccc1-c1cccc(OP(=O)(Oc2cccc(-c3ccccc3N)c2-c2ccccc2N)Oc2cccc(-c3ccccc3N)c2-c2ccccc2N)c1-c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 3/20 0.38
PTPRC P08575 1/20 0.38
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.35
INPPL1 O15357 1/20 0.35
INPP5B P32019 1/20 0.35
INPP5A Q14642 1/20 0.35
IDO1 P14902 1/20 0.35
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
HSPA1A P0DMV8 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
SCHEMBL4444822 0.87 INPPL1 (0.53) ALDH1A1L3MBTL1ADORA2APTPRCLMNA
SCHEMBL1699762 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNARECQLHSD17B10
SCHEMBL6064752 0.76 MEN1 (0.39) ALDH1A1LMNARECQLHSD17B10INPPL1
SCHEMBL15811767 0.76 MAPT (0.42) ALDH1A1LMNAHSD17B10RAB9ASMN1; SMN2
SCHEMBL2932699 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD17B10PTGS1TDP1
SCHEMBL234438 0.75 CYP3A4 (0.40) L3MBTL1LMNATDP1MEN1KMT2A
SCHEMBL3714036 0.74 ALDH1A1 (0.72) ALDH1A1L3MBTL1ADORA2APTPRCHSD17B10
SCHEMBL8089431 0.74 CD44 (0.38) ALDH1A1LMNARECQLHSD17B10INPPL1
SCHEMBL1192357 0.73 L3MBTL1 (0.37) L3MBTL1RECQLMAPTKDM4EGAA
SCHEMBL5493737 0.72 ALDH1A1 (0.68) ALDH1A1L3MBTL1ADORA2APTPRCHSD17B10

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
JP-2009292895-A RESIN COMPOSITION FOR SEMICONDUCTOR SEALING SHOWA HIGHPOLYMER CO LTD 2009-12-17 JP disclosed
JP-2009295689-A ADHESIVE FILM FOR MULTILAYER PRINTED WIRING BOARD SHOWA HIGHPOLYMER CO LTD 2009-12-17 JP disclosed