SCHEMBL8718598

SCHEMBL8718598

CC=NNc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
GAA P10253 7/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
GFER P55789 3/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.44
SENP7 Q9BQF6 1/20 0.42
ALOX12 P18054 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8718594 1.00 MAPT (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL14438098 1.00 MAPT (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL765856 0.79 GAA (0.52) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL20335404 0.77 MEN1 (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL13188669 0.77 GAA (0.51) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL8221412 0.77 NOX1 (0.34) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL1002644 0.77 NOX1 (0.34) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL28527555 0.77 MEN1 (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL1002645 0.77 NOX1 (0.34) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL19918085 0.77 MEN1 (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed