SCHEMBL28211522

SCHEMBL28211522

C=Cn1cccc1C(=O)c1cccn1C=C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKT1 P31749 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL27503049 0.92 ALDH1A1 (0.40) MEN1ALDH1A1LMNAMAPTALOX12
SCHEMBL1664457 0.85 POLB (0.42) MEN1ALDH1A1LMNAMAPTALOX12
SCHEMBL7567155 0.70
SCHEMBL6443245 0.65
SCHEMBL20981454 0.65
SCHEMBL13317702 0.65
SCHEMBL4230925 0.65 TDP1 (0.43) MEN1ALDH1A1LMNAMAPTALOX12
SCHEMBL8625439 0.64
SCHEMBL4891297 0.64 POLB (0.42) MEN1ALDH1A1LMNAMAPTALOX12
SCHEMBL12081976 0.64 DAPK3 (0.32) SMN1; SMN2

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-107884953-A Contact lenses and contact lens products 星欧光学股份有限公司 2018-04-06 CN disclosed