SCHEMBL25587191

SCHEMBL25587191

O=C1Nc2ccccc2/C1=C1\COc2cc3c(cc21)OC(=O)/C3=C1/C(=O)Nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.43
NTRK1 P04629 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
TOP1 P11387 2/20 0.38
LRRK2 Q5S007 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
GAA P10253 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL10295095 0.86 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2
SCHEMBL29383535 0.86 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2
SCHEMBL6523404 0.86 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2
SCHEMBL10295101 0.86 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2
SCHEMBL10295294 0.86 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2
Cyanide SCHEMBL21357786 0.82 LRRK2 (0.44) CDK2NTRK1CCNA2CCNA1LRRK2
Cyanide SCHEMBL21357787 0.82 LRRK2 (0.44) CDK2NTRK1CCNA2CCNA1LRRK2
SCHEMBL18737786 0.81 NTRK1 (0.38) CDK2NTRK1CCNA2CCNA1TOP1
SCHEMBL18532164 0.80 NTRK1 (0.41) CDK2NTRK1CCNA2CCNA1TOP1
SCHEMBL7092479 0.77 LRRK2 (0.48) CDK2NTRK1CCNA2CCNA1LRRK2

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
WO-2023095827-A1 STRUCTURE AND SOLID-STATE IMAGING ELEMENT 三菱ケミカル株式会社 2023-06-01 WO disclosed