SCHEMBL7744813

SCHEMBL7744813

CON(C)C(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1COC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
IDE P14735 2/20 0.42
CLK1 P49759 1/20 0.39
NTSR1 P30989 5/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PTGS1 P23219 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PRNP P04156 1/20 0.37
POLB P06746 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 0.90 CCR5 (0.43) KMT2AMEN1IDECLK1LMNA
SCHEMBL7744732 0.88 ALDH1A1 (0.44) KMT2AMEN1IDECLK1LMNA
SCHEMBL7745164 0.88 IDE (0.45) KMT2AMEN1IDECLK1LMNA
SCHEMBL7744817 0.83 UBE2M (0.38) KMT2AMEN1IDECLK1NTSR1
SCHEMBL7744835 0.83 IDE (0.46) KMT2AMEN1IDECLK1LMNA
SCHEMBL7744880 0.82 IDE (0.42) KMT2AMEN1IDECLK1LMNA
SCHEMBL7744820 0.81 IDE (0.45) KMT2AMEN1IDECLK1LMNA
SCHEMBL7744923 0.81 CLK1 (0.43) KMT2AMEN1IDECLK1LMNA
SCHEMBL7745238 0.80 CCR5 (0.42) KMT2AMEN1IDECLK1LMNA
SCHEMBL7740114 0.79 IDE (0.45) KMT2AMEN1IDECLK1LMNA

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