SCHEMBL7744835

SCHEMBL7744835

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.46
CCR5 P51681 1/20 0.42
CLK1 P49759 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DPP4 P27487 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 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
SCHEMBL7744880 0.95 IDE (0.42) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7745262 0.93 CCR5 (0.43) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7745230 0.89 KMT2A (0.40) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7740114 0.89 IDE (0.45) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7745164 0.88 IDE (0.45) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7740136 0.86 IDE (0.42) IDECCR5CLK1ALDH1A1KMT2A
SCHEMBL7744802 0.86 CCR5 (0.47) IDECCR5CLK1SMN1; SMN2ALDH1A1
SCHEMBL7745238 0.85 CCR5 (0.42) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7744732 0.84 ALDH1A1 (0.44) IDECCR5CLK1LMNASMN1; SMN2
SCHEMBL7744813 0.83 KMT2A (0.44) IDECCR5CLK1LMNASMN1; SMN2

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