SCHEMBL6679862

SCHEMBL6679862

COc1ccccc1-c1c(-c2ccccc2)c(-c2ccccn2)c[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
DCTPP1 Q9H773 2/20 0.42
PDE2A O00408 1/20 0.42
PDGFRB P09619 1/20 0.40
GRM5 P41594 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6674323 0.90 PDGFRB (0.46) SMN1; SMN2HTTKDM4ELMNAPOLB
SCHEMBL3677990 0.89 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4ELMNAPOLB
SCHEMBL3667468 0.85 PARP1 (0.45) SMN1; SMN2HTTKDM4ELMNAPOLB
SCHEMBL3667669 0.84 AXL (0.47) HTTTDP1GRM5SLK
SCHEMBL6689989 0.83 KDM4E (0.43) SMN1; SMN2HTTKDM4ELMNAPOLB
SCHEMBL3665777 0.81 CCNE1 (0.40) SMN1; SMN2HTTKDM4ELMNAL3MBTL1
SCHEMBL3667347 0.81 MAPK14 (0.42) SMN1; SMN2HTTKDM4EJAK2JAK3
SCHEMBL3666596 0.81 CYP2A6 (0.37) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL3672899 0.81 CYP2A6 (0.40) SMN1; SMN2HTTLMNAL3MBTL1NPC1
SCHEMBL2918049 0.79 GRIA1 (0.47) SMN1; SMN2HTTKDM4ELMNAL3MBTL1

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-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed