SCHEMBL439004

SCHEMBL439004

Nc1c(Br)cnc2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
FERMT2 Q96AC1 1/20 0.39
GRM5 P41594 6/20 0.38
TDO2 P48775 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
BACE1 P56817 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL439853 0.86 BCHE (0.43) ACHEMAP4K4BACE1
SCHEMBL437952 0.81 ACHE (0.45) ACHEBACE1
SCHEMBL9377343 0.81 ACHE (0.45) ACHEFERMT2GRM5TDO2BACE1
SCHEMBL437293 0.79 ACHE (0.43) ACHE
SCHEMBL438239 0.79 ACHE (0.46) ACHEFERMT2GRM5
SCHEMBL437067 0.78 MAOB (0.46) BACE1
SCHEMBL437945 0.75 ACHE (0.47) ACHEFERMT2PDGFRBPDGFRA
SCHEMBL439912 0.74 ALOX5AP (0.42)
SCHEMBL438745 0.73 KEAP1 (0.49) ACHEMAP4K4
SCHEMBL439796 0.73 KDM4E (0.50) ACHE

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed