SCHEMBL8899504

SCHEMBL8899504

CCOc1ccccc1CNc1c(C#N)ccnc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
THRB P10828 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
PLEC Q15149 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRKCQ Q04759 1/20 0.42
LMNA P02545 2/20 0.41
JAK3 P52333 1/20 0.41
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTR7 P34969 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL7435773 0.81 MAPK1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL29941277 0.68 MKNK1 (0.48) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6305012 0.68 MKNK1 (0.48) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL7442632 0.67 MAPK1 (0.50) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL11547887 0.65 KDM4E (0.51) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL22261304 0.65 JAK3 (0.62) MEN1KMT2ATHRBALDH1A1GAA
SCHEMBL27569268 0.65 L3MBTL1 (0.47) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL28847591 0.65 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL10321813 0.65 MYC (0.39) KMT2AGAARECQLATMKDM4E
SCHEMBL4011789 0.65 L3MBTL1 (0.58) MEN1KMT2ATHRBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 US disclosed