SCHEMBL7744923

SCHEMBL7744923

CON(C)C(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.42
IDE P14735 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
CCR5 P51681 1/20 0.40
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7744820 0.90 IDE (0.45) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7745262 0.85 CCR5 (0.43) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7745164 0.82 IDE (0.45) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7744813 0.81 KMT2A (0.44) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7744732 0.80 ALDH1A1 (0.44) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7744835 0.77 IDE (0.46) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7747562 0.76 IDE (0.47) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7744880 0.76 IDE (0.42) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL7744817 0.75 UBE2M (0.38) CLK1SMN1; SMN2LMNAKMT2AIDE
SCHEMBL2720560 0.75 LMNA (0.45) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1

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