SCHEMBL19979917

SCHEMBL19979917

CCOC(=O)c1ccc(Cl)nc1-n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
CASP1 P29466 1/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL19980105 0.82 MAPT (0.44) SMN1; SMN2HTTHSP90AA1MAPTTSHR
SCHEMBL1578863 0.74 MEN1 (0.45) MAPTKMT2AALDH1A1RAB9A
SCHEMBL422881 0.73 TSHR (0.52) MAPTTSHRCASP1CA12CA1
SCHEMBL609984 0.73 KDM4E (0.54) MAPTTSHRNPC1CA12CA1
SCHEMBL29550931 0.73 TSHR (0.52) MAPTTSHRCASP1CA12CA1
SCHEMBL6306356 0.72 TSHR (0.50) HTTMAPTTSHRCASP1NPC1
SCHEMBL510186 0.71 ALDH1A1 (0.51) SMN1; SMN2MAPTTSHRNPC1LMNA
SCHEMBL9630374 0.71 TSHR (0.49) HSP90AA1MAPTTSHRCASP1CA12
SCHEMBL5734578 0.70 MAPT (0.62) SMN1; SMN2HTTHSP90AA1MAPTTSHR
SCHEMBL8301932 0.70 MAPT (0.55) SMN1; SMN2HTTHSP90AA1MAPTTSHR

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-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed