SCHEMBL5282582

SCHEMBL5282582

CCCCc1c(Cl)nnn1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5280941 0.89 CYP1A2 (0.32) CYP1A2POLBCYP2C19
SCHEMBL5278793 0.81 MAOB (0.38) MAOB
SCHEMBL5276205 0.81 CYP1A2 (0.33) CYP1A2POLBCYP2C19
SCHEMBL5274867 0.80 MAOB (0.37) MAOB
SCHEMBL5279804 0.80 MAOB (0.31) MAOB
SCHEMBL5278616 0.79 MAOB (0.31) MAOB
SCHEMBL5281200 0.79 HDAC8 (0.31) MAOB
SCHEMBL5278445 0.78 MAOB (0.31) PDE2AMAOB
SCHEMBL5277118 0.77 MAOB (0.35) MAOB
SCHEMBL5283823 0.76 MAOB (0.34) MAOB

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