SCHEMBL2226264

SCHEMBL2226264

O=CCC1=NOC(c2c(F)cccc2F)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL564213 0.71 POLB (0.35) POLB
SCHEMBL697212 0.71 POLB (0.30) POLB
SCHEMBL12595258 0.71 CUL4A (0.37) POLBHTR2CHTR2B
SCHEMBL12305010 0.71 TEAD1 (0.35) POLBHTR2CHTR2B
SCHEMBL2740662 0.71 TEAD1 (0.35) POLBHTR2CHTR2B
SCHEMBL19525865 0.69 POLB (0.38) POLB
SCHEMBL19525864 0.69 POLB (0.35) POLB
SCHEMBL10163553 0.69 POLB (0.35) POLB
SCHEMBL192955 0.69 POLB (0.35) POLB
SCHEMBL192351 0.66 POLB (0.37) POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521450-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. Du Pont De Nemours And Company (US) 2012-11-14 EP disclosed
EP-2358709-A2 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2011-08-24 EP disclosed
WO-2011085170-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 WO disclosed
EP-2260032-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. du Pont de Nemours and Company (US) 2010-12-15 EP disclosed
WO-2010065579-A2 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed
WO-2009094445-A2 FUNGICIDAL HETERCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed