SCHEMBL20135856

SCHEMBL20135856

Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2C#N)ccc1=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.64
SCN9A Q15858 2/20 0.51
PGR P06401 2/20 0.43
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL15538778 0.86 BRD4 (0.62) BRD4
SCHEMBL15539865 0.85 BRD4 (0.54) BRD4SCN9A
SCHEMBL15558311 0.83 BRD4 (0.70) BRD4
SCHEMBL15538643 0.82 BRD4 (0.63) BRD4
SCHEMBL15541470 0.81 BRD4 (0.68) BRD4
SCHEMBL15069344 0.78 BRD4 (1.00) BRD4
SCHEMBL29745704 0.78 BRD4 (1.00) BRD4
SCHEMBL15538589 0.78 BRD4 (0.58) BRD4SCN9A
SCHEMBL15539254 0.78 BRD4 (0.58) BRD4SCN9A
SCHEMBL15540258 0.77 BRD4 (0.56) BRD4SCN9A

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-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP disclosed