SCHEMBL13769417

SCHEMBL13769417

C=CCN(Cc1cccc(OC)c1C)c1nc(C2CC2)nc(C(=O)OC)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 2/20 0.33
PDE10A Q9Y233 2/20 0.33
REN P00797 6/20 0.32
PDE4D Q08499 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM3 P20309 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
NTSR1 P30989 1/20 0.31

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
SCHEMBL1609974 0.92 MEN1 (0.43) KMT2AMEN1ALDH1A1GAAPDE4A
SCHEMBL12713205 0.88 ALDH1A1 (0.34) LTC4SKMT2AMEN1ALDH1A1GAA
SCHEMBL1610550 0.86 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL1609999 0.85 ALOX5 (0.34) ALDH1A1PDE4ACYP2D6SLC6A2SLC6A3
SCHEMBL1609969 0.83 CHRM3 (0.38) ALDH1A1PDE4APDE10APDE4DCHRM3
SCHEMBL1610486 0.81 SMN1; SMN2 (0.34) LTC4SKMT2AMEN1ALDH1A1SLC6A4
SCHEMBL1609106 0.80 TRPM8 (0.37) KMT2AMEN1ALDH1A1GAAPDE4A
SCHEMBL1609271 0.79 KLKB1 (0.34) KMT2AALDH1A1PDE10APDE4DPDE4B
SCHEMBL13769408 0.77 PDE10A (0.44) ALDH1A1PDE4APDE10APDE4DCYP2D6
SCHEMBL12738212 0.77 MEN1 (0.46) KMT2AMEN1ALDH1A1GAAPDE4A

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-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed