SCHEMBL14339796

SCHEMBL14339796

C=C(OC(C)(C)C)N1CCCC(c2cc(-c3c(O)cccc3OCc3ccccc3)nc(N)c2CO)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.49
CHUK O15111 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
SCHEMBL4947378 0.91 IKBKB (0.49) IKBKB
SCHEMBL4939836 0.81 PRMT5 (0.47)
SCHEMBL4945873 0.81 IKBKB (0.49) IKBKB
SCHEMBL4947301 0.80 IKBKB (0.65) IKBKBCHUK
SCHEMBL14339735 0.79 PRMT5 (0.40) IKBKB
SCHEMBL4601001 0.78 IKBKB (0.77) IKBKBCHUK
SCHEMBL14339767 0.78 IKBKB (0.44) IKBKBCHUK
SCHEMBL5424220 0.77 PRMT5 (0.51) IKBKB
SCHEMBL4509466 0.77 ALOX5AP (0.42) IKBKB
SCHEMBL4946404 0.76 PRMT5 (0.47) IKBKB

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