SCHEMBL5711286

SCHEMBL5711286

[CH2]C(C)(C)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL179267 0.75 HDAC8 (0.35) HDAC8HSP90AA1
SCHEMBL31175998 0.73 HDAC8 (0.33) HDAC8HSP90AA1
SCHEMBL31194454 0.73 HDAC8 (0.33) HDAC8HSP90AA1
Hydrochloric Acid SCHEMBL6587339 0.73 KDM4E (0.36) HDAC8HSP90AA1
SCHEMBL28198650 0.73 HDAC8 (0.33) HDAC8HSP90AA1
SCHEMBL19814728 0.71 HSP90AA1 (0.38) HDAC8HSP90AA1
SCHEMBL658284 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL22047644 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL31692011 0.71 HDAC8 (0.32) HDAC8HSP90AA1
SCHEMBL85656 0.71 HDAC8 (0.32) HDAC8HSP90AA1

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-1727782-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-12-06 EP disclosed
WO-2005092832-A1 METHOD OF PRODUCING AMINOPHENOL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 WO disclosed