SCHEMBL5201946

SCHEMBL5201946

BrC1(c2ncccn2)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL28278049 0.90 SPR (0.30)
SCHEMBL15888817 0.67 HDAC8 (0.30) HDAC8HSP90AA1
SCHEMBL27889695 0.67 TDP1 (0.31) HDAC8HSP90AA1
SCHEMBL16597568 0.67 GRIN1 (0.31) HDAC8HSP90AA1
SCHEMBL28079957 0.67 OPRM1 (0.36) HDAC8HSP90AA1
SCHEMBL9292272 0.65 GRIN1 (0.37)
Hydrochloric Acid SCHEMBL667557 0.65 HSP90AA1 (0.35) HSP90AA1
SCHEMBL23216476 0.63 HRH3 (0.38)
SCHEMBL28070877 0.63 HDAC8 (0.33) HDAC8
SCHEMBL19385802 0.63 PARP1 (0.36) HSP90AA1

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
EP-1778673-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006004532-A1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2006-01-12 WO disclosed