SCHEMBL8555636

SCHEMBL8555636

O=C(O)c1cccc(OCCN2CCOCC2)c1OCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 2/20 0.60
KDM4E B2RXH2 4/20 0.59
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
DRD1 P21728 2/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
ABCB1 P08183 1/20 0.53
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL6042440 0.88 POLB (0.68) MEN1KMT2APOLBKDM4ECNR1
SCHEMBL3454630 0.82 USP2 (0.67) POLBKDM4EABCB1CYP2D6ALDH1A1
SCHEMBL16676773 0.79 ABCB1 (0.66) MEN1KMT2APOLBKDM4ECNR1
SCHEMBL21681926 0.79 POLB (0.62) MEN1KMT2APOLBKDM4ECNR1
SCHEMBL1874443 0.78 KDM4E (0.64) POLBKDM4ECNR1CNR2DRD1
SCHEMBL8643914 0.78 DRD2 (0.60) MEN1KMT2APOLBKDM4EDRD1
SCHEMBL6044278 0.77 MEN1 (0.72) MEN1KMT2APOLBKDM4ECNR1
SCHEMBL5043172 0.77 POLB (0.60) MEN1KMT2APOLBKDM4EDRD1
SCHEMBL21681985 0.77 NPC1 (0.63) POLBKDM4ECNR1CNR2DRD1
SCHEMBL16674495 0.76 POLB (0.62) MEN1KMT2APOLBKDM4ECNR1

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-0813534-A4 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
EP-0813534-A1 6-ARYL PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 EP disclosed