SCHEMBL5282370

SCHEMBL5282370

CCCc1nnn(C(C)C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.34
TOP2A P11388 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
SCHEMBL5276201 0.89 MAOB (0.31)
SCHEMBL5279026 0.84 TOP2A (0.32) TOP2A
SCHEMBL5274900 0.80 GABRB3 (0.39) GABRB3
SCHEMBL5279059 0.78 GABRB3 (0.38) GABRB3
SCHEMBL5278169 0.78 TOP2A (0.31) TOP2A
SCHEMBL5280637 0.77 TOP2A (0.30) TOP2A
SCHEMBL5274321 0.77 GABRB3 (0.34) GABRB3
SCHEMBL5281551 0.77 GABRB3 (0.31) GABRB3
SCHEMBL5279446 0.77 GABRB3 (0.39) GABRB3
SCHEMBL5286592 0.76 MAOB (0.37) GABRB3

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