SCHEMBL188609

SCHEMBL188609

CN1CCN(c2ccc(N)cc2CCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KDM4E B2RXH2 5/20 0.56
RAD52 P43351 2/20 0.56
ALDH1A1 P00352 7/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRA2C P18825 3/20 0.45
GAA P10253 4/20 0.45
PTK2B Q14289 3/20 0.45
GFER P55789 3/20 0.45
KMT2A Q03164 3/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
NCF1 P14598 2/20 0.42
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.41
NR4A1 P22736 1/20 0.41

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
SCHEMBL189132 0.88 MAPT (0.59) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL29507839 0.88 MAPT (0.59) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL7033209 0.86 ALDH1A1 (0.49) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL27372168 0.83 HTR1A (0.43) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL30879098 0.83 MAPT (0.61) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL12006141 0.83 MAPT (0.61) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL12006303 0.82 MAPT (0.54) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL15506693 0.81 MAPT (0.59) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL2017188 0.80 MAPT (0.58) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL26655888 0.79 KDM4E (0.54) MAPTKDM4ERAD52ALDH1A1POLB

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