SCHEMBL6588914

SCHEMBL6588914

COc1cc(C(=O)C=Cc2ccc(OCCN(C)C)cc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.64
ACHE P22303 7/20 0.64
ABCG2 Q9UNQ0 4/20 0.56
TNFRSF1A P19438 1/20 0.56
CXCL12 P48061 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
DPP4 P27487 2/20 0.50
MAOB P27338 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL25191376 0.79 BCHE (0.83) BCHEACHEABCG2MAOB
SCHEMBL25194946 0.79 BCHE (0.83) BCHEACHEABCG2MAOB
SCHEMBL25279110 0.79 BCHE (0.83) BCHEACHEABCG2MAOB
SCHEMBL4845554 0.79 ABCG2 (0.73) BCHEACHEABCG2TNFRSF1AMAPT
SCHEMBL4851201 0.79 ABCG2 (0.73) BCHEACHEABCG2TNFRSF1AMAPT
SCHEMBL4846087 0.79 BCHE (0.68) BCHEACHEABCG2LMNAMAPT
SCHEMBL4847840 0.79 BCHE (0.68) BCHEACHEABCG2LMNAMAPT
SCHEMBL4845561 0.77 ABCG2 (0.73) BCHEACHEABCG2TNFRSF1AKDM4E
SCHEMBL4857406 0.77 BCHE (0.58) BCHEACHEABCG2CXCL12MAOB
SCHEMBL4846784 0.77 BCHE (0.58) BCHEACHEABCG2CXCL12MAOB

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-1432699-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
WO-2003022832-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 WO disclosed