SCHEMBL7740033

SCHEMBL7740033

CCOC(=O)CC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1COC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 2/20 0.52
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CCR5 P51681 1/20 0.41
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CLK1 P49759 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38

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
SCHEMBL7744802 0.85 CCR5 (0.47) IDEMAPTGAAKMT2APRNP
SCHEMBL7744835 0.83 IDE (0.46) IDEGAAKMT2APRNPPOLB
SCHEMBL7740114 0.83 IDE (0.45) IDEMAPTL3MBTL1KMT2APRNP
SCHEMBL7745335 0.81 KMT2A (0.45) IDEKDM4EMAPTKMT2APRNP
SCHEMBL7745262 0.81 CCR5 (0.43) IDEMAPTGAAKMT2APRNP
SCHEMBL7744834 0.80 GAA (0.46) IDEKDM4EMAPTGAAKMT2A
SCHEMBL7745400 0.80 KDM4E (0.43) IDEKDM4EMAPTGAATDP1
SCHEMBL7744880 0.80 IDE (0.42) IDEGAAKMT2APRNPPOLB
SCHEMBL7744743 0.80 CCR5 (0.43) IDEKDM4EMAPTKMT2APRNP
SCHEMBL7740136 0.80 IDE (0.42) IDEKMT2APRNPPOLBRXFP1

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