SCHEMBL14339682

SCHEMBL14339682

COc1ccc(CCc2cccc(OCC3CC3)c2-c2cc(C3CCCN(C(=O)OC(C)(C)C)C3)c3ccc(=O)[nH]c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
PRMT5 O14744 2/20 0.38
CHEK2 O96017 1/20 0.38
HTR6 P50406 2/20 0.37
SLC2A1 P11166 2/20 0.37
SCN9A Q15858 2/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
PFKFB3 Q16875 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
BCHE P06276 1/20 0.34
CSF1R P07333 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
SCHEMBL4947196 0.92 PRMT5 (0.43) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4940406 0.83 PRMT5 (0.42) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4946420 0.83 PRMT5 (0.42) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4947771 0.82 PRMT5 (0.43) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL14339664 0.81 PRMT5 (0.42) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL14028580 0.81 PRMT5 (0.41) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4945773 0.81 PRMT5 (0.41) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4946491 0.81 SCN9A (0.47) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL4947749 0.80 HPGD (0.41) ALOX5APFEN1PRMT5CHEK2HTR6
SCHEMBL14028576 0.79 PRMT5 (0.42) ALOX5APFEN1PRMT5CHEK2HTR6

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
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed