SCHEMBL28225950

SCHEMBL28225950

COCCc1cnc(C)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
TSHR P16473 1/20 0.33
SLC2A1 P11166 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE2A O00408 1/20 0.31
PDE8A O60658 1/20 0.31
PDE5A O76074 1/20 0.31
PDE9A O76083 1/20 0.31
PDE6A P16499 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL26975105 0.78 SLC2A1 (0.32) SLC2A1ALDH1A1MAPTKMT2A
SCHEMBL16680007 0.77 MAPK1 (0.36) LMNAAPPBACE1BACE2MAPK1
Oxindole SCHEMBL28860972 0.77 AHR (0.45) APPBACE1BACE2MAPK1MAPKAPK2
SCHEMBL14720969 0.76 APP (0.43) APPBACE1BACE2MAPK1MAPKAPK2
SCHEMBL7940962 0.75 TSHR (0.40) LMNAAPPBACE1BACE2KDM4E
SCHEMBL14720728 0.74 APP (0.45) APPBACE1BACE2MAPK1KDM4E
SCHEMBL16679299 0.72 MEN1 (0.36) LMNAMAPK1TLR7ALDH1A1KMT2A
SCHEMBL16755476 0.70 NOS1 (0.38) MAPKAPK2
SCHEMBL4265783 0.70 CHRNB2 (0.33) PDE2APDE8APDE5APDE9APDE6A
SCHEMBL28052421 0.68 MAPKAPK2 (0.38) APPBACE1BACE2MAPK1MAPKAPK2

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-108137561-A Indolin-2-one derivative 豪夫迈·罗氏有限公司 2018-06-08 CN disclosed