SCHEMBL9523023

SCHEMBL9523023

O=C1OCCC1=Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
DYRK1A Q13627 6/20 0.38
DYRK1B Q9Y463 5/20 0.38
DYRK2 Q92630 4/20 0.38
PPOX P50336 1/20 0.38
CLK1 P49759 1/20 0.38
KMT2A Q03164 1/20 0.37
RAD51 Q06609 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL7713370 0.80 DYRK1A (0.39) DYRK1ADYRK1BDYRK2PPOXCLK1
SCHEMBL9520173 0.79 GRM7 (0.39)
SCHEMBL9521001 0.79 PPOX (0.38) DYRK1APPOXKMT2AMAPT
SCHEMBL7162462 0.78 PPOX (0.45) ALDH1A1DYRK1APPOXKMT2ARAD51
SCHEMBL9520961 0.74 ALDH1A1 (0.47) ALDH1A1DYRK1ADYRK1BDYRK2CLK1
SCHEMBL24293381 0.73 PPOX (0.40) ALDH1A1PPOXKMT2ARAD51MAPT
SCHEMBL8011326 0.72 PTGDR (0.42) PPOX
SCHEMBL8011328 0.72 PTGDR (0.42) PPOX
SCHEMBL25395175 0.72 PTGDR (0.42) PPOX
SCHEMBL9521155 0.71 ALDH1A1 (0.48) ALDH1A1DYRK1ADYRK1BDYRK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345637-B1 N-SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-4959098-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0345637-A1 N-substituted 3,4,5,6-tetrahydrophthalimide derivatives BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed