SCHEMBL5289063

SCHEMBL5289063

CCCCc1nnn(C)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
CYP19A1 P11511 6/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL5274296 0.89 MAPK1 (0.36) MAOBALDH1A1MAPK1KDM4ECYP19A1
SCHEMBL5285349 0.83 ALDH1A1 (0.36) MAOBALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL5274107 0.83 SLC9A1 (0.38) MAOBALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL5275441 0.81 GLA (0.32) MAOBMAPK1HTT
SCHEMBL5280494 0.81 ALDH1A1 (0.37) MAOBALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL5275209 0.80 SLC9A1 (0.41) MAOBALDH1A1L3MBTL1MAPK1CYP19A1
SCHEMBL5275813 0.78 ALDH1A1 (0.35) MAOBALDH1A1L3MBTL1MAPK1KDM4E
SCHEMBL5279686 0.76 SLC9A1 (0.38) MAOBALDH1A1L3MBTL1MAPK1CYP19A1
SCHEMBL5282456 0.73 SLC9A1 (0.41) MAOBALDH1A1MAPK1CYP19A1LMNA
SCHEMBL5277192 0.73 MAOB (0.46) MAOBALDH1A1

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed