SCHEMBL17625972

SCHEMBL17625972

C[C@@H]1CN(C(C)(C)C)CCN1c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
MAPT P10636 5/20 0.36
GFER P55789 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2C P18825 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
SLC18A3 Q16572 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAD52 P43351 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL4544714 0.85 MAPT (0.43) MAPK1MAPTGFERALDH1A1KMT2A
SCHEMBL24421702 0.84 MAPK1 (0.40) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL14445331 0.83 MAPK1 (0.53) MAPK1MAPTGAASLC18A3SMN1; SMN2
SCHEMBL20884848 0.78 KDM4E (0.52) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL189064 0.78 KDM4E (0.52) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL188063 0.78 KDM4E (0.52) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL17265649 0.77 MAPT (0.42) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL27479144 0.74 SLC18A3 (0.47) MAPK1MAPTGFERALDH1A1KDM4E
SCHEMBL16569969 0.74 GFER (0.38) MAPK1GFERALDH1A1GAAHTT
SCHEMBL16569968 0.74 GFER (0.38) MAPK1GFERALDH1A1GAAHTT

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
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 EP disclosed