SCHEMBL14028381

SCHEMBL14028381

CC(C)CCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.84

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
SCHEMBL14028375 0.91 IKBKB (1.00) IKBKB
SCHEMBL14028376 0.91 IKBKB (1.00) IKBKB
SCHEMBL4599908 0.90 IKBKB (1.00) IKBKB
SCHEMBL4601103 0.90 IKBKB (0.83) IKBKB
SCHEMBL14028379 0.90 IKBKB (1.00) IKBKB
SCHEMBL14046517 0.90 IKBKB (0.67) IKBKB
SCHEMBL14028374 0.89 IKBKB (1.00) IKBKB
SCHEMBL14028363 0.88 IKBKB (0.79) IKBKB
SCHEMBL14028409 0.88 IKBKB (0.84) IKBKB
SCHEMBL14028366 0.88 IKBKB (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed