SCHEMBL439299

SCHEMBL439299

Nc1c(Br)cnc2cc(F)cc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHB4 P54760 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL2712583 0.79 BCHE (0.39) BCHEACHE
SCHEMBL437520 0.79 AAK1 (0.34) BCHEACHE
SCHEMBL442311 0.73 KDM4E (0.40) BCHEACHEKMT2ACA1CA2
SCHEMBL439456 0.71 CDK8 (0.33) HTTKMT2ACA1CA2CA9
SCHEMBL439004 0.71 ACHE (0.43) ACHE
SCHEMBL16110837 0.70 AAK1 (0.34)
SCHEMBL2778073 0.68 MAP4K4 (0.45)
SCHEMBL29728027 0.68 MAP4K4 (0.45)
SCHEMBL439853 0.68 BCHE (0.43) BCHEACHE
SCHEMBL438230 0.68 NR4A2 (0.35) BCHEACHEHTTKMT2AEPHB4

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