SCHEMBL5281605

SCHEMBL5281605

CCCCc1nnn(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK8 P45983 1/20 0.32
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
HSD11B1 P28845 1/20 0.31
CYP1A2 P05177 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
SCHEMBL5274911 0.88 GABRB3 (0.36) MAOBALDH1A1GABRA2GABRB2CYP1A2
SCHEMBL5278886 0.85 SLC9A1 (0.36) MAOBL3MBTL1ALDH1A1CYP1A2
SCHEMBL5277642 0.81 SLC9A1 (0.41) MAOBL3MBTL1ALDH1A1GABRA2GABRB2
SCHEMBL5280557 0.79
SCHEMBL5281586 0.78 L3MBTL1 (0.33) MAOBL3MBTL1ALDH1A1GABRA2GABRB2
SCHEMBL5275557 0.78 SLC9A1 (0.44) MAOBL3MBTL1ALDH1A1
SCHEMBL5277192 0.78 MAOB (0.46) MAOBALDH1A1GABRA2GABRB2HSD11B1
SCHEMBL5275440 0.78 MAOB (0.58) MAOBALDH1A1HSD11B1
SCHEMBL5280096 0.76 MAOB (0.42) MAOBHSD11B1
SCHEMBL5282328 0.76 MAOB (0.53) MAOBALDH1A1GABRA2GABRB2HSD11B1

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