SCHEMBL188931

SCHEMBL188931

CC(O)(C=O)CN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
GAA P10253 7/20 0.54
GFER P55789 6/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAD52 P43351 2/20 0.54
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 2/20 0.46
ADRA2C P18825 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 5/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
GCK P35557 1/20 0.41
ALOX12 P18054 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 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
SCHEMBL1815259 0.83 MAPT (0.62) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL943610 0.80 MAPT (0.66) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL15652016 0.78 PSMB1 (0.53) KDM4EALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL1018073 0.73 MAPT (0.61) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL5725588 0.73 MAPT (0.61) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL8236174 0.72 MAPT (0.55) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL24990305 0.72 AR (0.66)
SCHEMBL27805942 0.71 MAPT (0.67) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL158007 0.71 MAPT (1.00) MAPTGAAGFERKDM4ESMN1; SMN2
SCHEMBL6152136 0.71 MAPT (1.00) MAPTGAAGFERKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed