SCHEMBL28875154

SCHEMBL28875154

Cc1n[nH]c(C#N)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
GAA P10253 3/20 0.37
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL22890174 0.77 PDE4D (0.67) PDE4DGAAPOLBLMNAL3MBTL1
SCHEMBL15777023 0.74 PDE4D (0.57) PDE4DGAAPOLBLMNAL3MBTL1
SCHEMBL1923447 0.72 GAA (0.43) PDE4DGAAPOLBLMNAL3MBTL1
SCHEMBL30120920 0.72 PDE4D (0.42) PDE4DPOLBLMNAL3MBTL1ALDH1A1
SCHEMBL17397805 0.71 PDE4D (0.40) PDE4DPOLBLMNAL3MBTL1
SCHEMBL31736680 0.70
SCHEMBL8087600 0.67 GAA (0.34) GAA
Sulfuric Acid SCHEMBL31278552 0.67 GAA (0.39) PDE4DGAAPOLB
SCHEMBL16832256 0.63 ADORA2A (0.39) GAAPOLBLMNAALDH1A1MAPT
SCHEMBL30206047 0.63 KDM5A (0.34) LMNA

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
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed