SCHEMBL7745164

SCHEMBL7745164

CCOCc1c(C(=O)N(C)OC)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.45
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR5 P51681 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
NPC1 O15118 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
SCHEMBL7745262 0.92 CCR5 (0.43) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744835 0.88 IDE (0.46) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744813 0.88 KMT2A (0.44) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744732 0.86 ALDH1A1 (0.44) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744880 0.85 IDE (0.42) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744820 0.84 IDE (0.45) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7740114 0.83 IDE (0.45) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744923 0.82 CLK1 (0.43) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7744817 0.82 UBE2M (0.38) IDECLK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7740136 0.81 IDE (0.42) IDECLK1ALDH1A1CCR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO claimed
WO-2001002385-A1 1-(QUINOLIN-4-YL)-1H-PYRAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES AVENTIS CROPSCIENCE S.A. (FR) 2001-01-11 WO disclosed