SCHEMBL3125296

SCHEMBL3125296

C=C(CBr)c1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL6064400 0.76 GRIK2 (0.32) MAOAMAOB
SCHEMBL20146334 0.75 GSK3B (0.45) GSK3BMAOAMAOB
SCHEMBL250821 0.75 PTPN1 (0.52) GSK3BMAOAMAOB
SCHEMBL12318444 0.73 PTPN1 (0.54)
SCHEMBL2297994 0.73 GSK3B (0.54) GSK3BMAOAMAOB
SCHEMBL991358 0.71 GSK3B (0.56) GSK3BMAOAMAOB
SCHEMBL696681 0.71 GSK3B (0.60) GSK3B
SCHEMBL2175225 0.71 PTPN1 (0.56) MAOAMAOB
SCHEMBL2172789 0.71 NAPRT (0.41)
SCHEMBL19105477 0.71 GSK3B (0.60) GSK3B

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
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed