SCHEMBL695938

SCHEMBL695938

O=CC(Br)C1=NOC(c2c(F)cccc2F)C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL697212 0.83 POLB (0.30) POLBNPC1RAB9A
SCHEMBL3680893 0.78 TSHR (0.43)
SCHEMBL4726112 0.78 TSHR (0.43)
SCHEMBL2226264 0.74 POLB (0.31) POLB
SCHEMBL2740662 0.69 TEAD1 (0.35) POLB
SCHEMBL12305010 0.69 TEAD1 (0.35) POLB
SCHEMBL12595258 0.69 CUL4A (0.37) POLB
SCHEMBL3408777 0.69 ALDH1A1 (0.32) POLB
SCHEMBL19525865 0.67 POLB (0.38) POLBNPC1RAB9A
SCHEMBL19525864 0.67 POLB (0.35) POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421861-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E. I. du Pont de Nemours and Company (US) 2012-02-29 EP claimed
WO-2010123791-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 WO claimed
EP-2521450-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. Du Pont De Nemours And Company (US) 2012-11-14 EP disclosed
EP-2421861-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E. I. du Pont de Nemours and Company (US) 2012-02-29 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-2010123791-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 WO 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