SCHEMBL28745877

SCHEMBL28745877

CCOc1ccc(N)cc1CCN(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 2/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7755387 0.78 KDM4E (0.47) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL6604502 0.77 ADRA1A (0.43) MAPTGAAKDM4EHTTMAPK1
SCHEMBL5952401 0.76 MAPT (0.59) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL11051857 0.74 MAPT (0.54) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL27519506 0.73 MEN1 (0.46) MAPTKDM4EALDH1A1POLBKMT2A
SCHEMBL27545567 0.73 ALDH1A1 (0.50) MAPTKDM4EALDH1A1POLBGABRA1
SCHEMBL5009932 0.73 MAPT (0.56) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL7755362 0.72 MAPT (0.45) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL10777187 0.71 MAPT (0.59) MAPTGAAKDM4EALDH1A1POLB
SCHEMBL10238812 0.71 GAA (0.58) MAPTGAAKDM4EALDH1A1POLB

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
CN-1261795-A Compounds and methods SMITHKLINE BEECHAM CORP (US) 2000-08-02 CN disclosed