SCHEMBL31726440

SCHEMBL31726440

COC(=O)Cc1cc(Cl)c(N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GFER P55789 1/20 0.45
HSP90AB1 P08238 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.39
HTR3E A5X5Y0 1/20 0.37
SLC22A1 O15245 1/20 0.37
HTR3B O95264 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL1626248 0.91 GAA (0.46) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL2439698 0.85 GAA (0.42) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL26887938 0.85 GAA (0.42) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL4092249 0.81 GAA (0.59) GAAALDH1A1GFERLMNAHTR3E
SCHEMBL17622509 0.78 GAA (0.42) GAASLC9A1
SCHEMBL5487981 0.78 LMNA (0.53) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL26685333 0.78 ABL1 (0.50) GAAALDH1A1GFERHSP90AB1NPC1
SCHEMBL15075928 0.78 ABL1 (0.54) GAAALDH1A1GFERABL1KDM4E
SCHEMBL26684714 0.77 PTGDR (0.39) GAAALDH1A1GFERHSP90AB1LMNA
SCHEMBL328578 0.77 ALDH1A1 (0.46) GAAALDH1A1GFERHSP90AB1KDM4E

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-2025233641-A1 NOVEL PHOTOINDUCIBLE KINASE INHIBITORS FOR TREATING PROLIFERATIVE AND VASOPROLIFERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2025-11-13 WO disclosed