SCHEMBL5286212

SCHEMBL5286212

CCCCc1nn[nH]c1CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.39
HCAR3 P49019 2/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL4364997 0.92 MEN1 (0.39) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5276698 0.89 HCAR2 (0.44) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5274721 0.88 HCAR2 (0.39) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5274878 0.87 HCAR2 (0.34) HCAR2HCAR3GAA
SCHEMBL5279145 0.83 HCAR2 (0.42) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL460418 0.83 MEN1 (0.41) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5276881 0.83 HCAR2 (0.42) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL11318964 0.82 MEN1 (0.40) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5603217 0.82 MEN1 (0.40) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5283882 0.81 HCAR2 (0.36) HCAR2HCAR3GAATSHRMAPK1

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
WO-2018031809-A1 CHELATED PSMA INHIBITORS CANCER TARGETED TECHNOLOGY LLC (US) 2018-02-15 WO disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed