SCHEMBL3829758

SCHEMBL3829758

O=C(CNc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)cn1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.45
VNN1 O95497 1/20 0.43
PDK1 Q15118 3/20 0.42
MAPK14 Q16539 5/20 0.40
PDK2 Q15119 2/20 0.39
PDK4 Q16654 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDK3 Q15120 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
PTGIR P43119 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC2A1 P11166 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3823686 0.86 BCL2A1 (0.47) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3828503 0.85 IKBKB (0.45) BCL2A1VNN1PDK1MAPK14
SCHEMBL3826441 0.84 MAPK14 (0.49) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3822748 0.82 BCL2A1 (0.52) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3830084 0.79 PDK1 (0.49) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3829755 0.78 PDK1 (0.48) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3821700 0.77 CNR2 (0.49) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL8179143 0.76 BCL2A1 (0.46) BCL2A1PDK1MAPK14PTGIRKMT2A
SCHEMBL3822924 0.76 BCL2A1 (0.46) BCL2A1VNN1PDK1MAPK14PDK2
SCHEMBL3831162 0.76 RAB9A (0.53) BCL2A1PDK1MAPK14HTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed