SCHEMBL6605599

SCHEMBL6605599

CN(C(N)=S)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
PLAU P00749 1/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
OPRK1 P41145 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 3/20 0.47

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
SCHEMBL4369665 0.80 LMNA (0.58) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL3928185 0.79 LMNA (0.61) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL2781155 0.76 GAA (0.52) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL16160035 0.74 LMNA (0.59) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL11544632 0.73 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1PLAUL3MBTL1
SCHEMBL27296562 0.71 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1PLAUL3MBTL1
SCHEMBL27580059 0.70 LMNA (0.52) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL2780020 0.70 ALDH1A1 (0.62) ALDH1A1KMT2AGAAMEN1PLAU
SCHEMBL27576961 0.70 LMNA (0.51) ALDH1A1KMT2AGAAMEN1CYP1A2
SCHEMBL20808142 0.69 LMNA (0.51) ALDH1A1KMT2AGAAMEN1CYP1A2

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
EP-1204323-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2004-07-14 EP disclosed