SCHEMBL7744820

SCHEMBL7744820

CCSc1c(C(=O)N(C)OC)cnn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDE P14735 3/20 0.45
KMT2A Q03164 4/20 0.44
RXFP1 Q9HBX9 3/20 0.44
PRNP P04156 2/20 0.44
POLB P06746 1/20 0.44
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CCR5 P51681 1/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
NPC1 O15118 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
SCHEMBL7744923 0.90 CLK1 (0.43) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7745262 0.85 CCR5 (0.43) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7745164 0.84 IDE (0.45) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7744813 0.81 KMT2A (0.44) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7744732 0.80 ALDH1A1 (0.44) IDEKMT2ARXFP1CLK1SMN1; SMN2
SCHEMBL7744835 0.80 IDE (0.46) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7744880 0.78 IDE (0.42) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7745238 0.76 CCR5 (0.42) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7744817 0.76 UBE2M (0.38) IDEKMT2ARXFP1PRNPPOLB
SCHEMBL7740114 0.76 IDE (0.45) IDEKMT2ARXFP1PRNPPOLB

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 disclosed