SCHEMBL438230

SCHEMBL438230

Nc1c(Br)cnc2cc(Cl)cc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.35
EPHB4 P54760 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
SCN2A Q99250 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PLAU P00749 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 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
SCHEMBL435967 0.83 NR4A2 (0.38) NR4A2BCHEACHESCN2AAURKA
SCHEMBL22304001 0.76 SCN2A (0.36) NR4A2BCHEACHESCN2AAURKA
SCHEMBL440378 0.73 HAVCR2 (0.49) AURKAAURKBHTTKMT2A
SCHEMBL438876 0.71 BCHE (0.43) EPHB4BCHEACHESCN2APLAU
SCHEMBL8057377 0.70 NR4A2 (0.41) NR4A2KMT2A
SCHEMBL438598 0.70 ACHE (0.41) NR4A2ACHEHTTKMT2ACA1
SCHEMBL439299 0.68 BCHE (0.34) EPHB4BCHEACHEHTTKMT2A
SCHEMBL436537 0.68 NOS3 (0.38) BCHEACHEHTTKMT2A
SCHEMBL437551 0.68 NR4A2 (0.51) NR4A2BCHEACHE
SCHEMBL18583152 0.67 ALDH1A1 (0.37) AURKAAURKBHTTADORA3ADORA1

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