SCHEMBL5797191

SCHEMBL5797191

COC(C)CNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.64
KCNH2 Q12809 4/20 0.64

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
SCHEMBL2074823 0.92 HDAC1 (0.68) HDAC1KCNH2
SCHEMBL5801668 0.88 HDAC1 (0.62) HDAC1KCNH2
SCHEMBL2075411 0.87 HDAC1 (0.65) HDAC1KCNH2
SCHEMBL2077612 0.87 HDAC1 (0.71) HDAC1KCNH2
SCHEMBL2074817 0.87 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL2077530 0.86 HDAC1 (0.71) HDAC1KCNH2
SCHEMBL2074837 0.86 HDAC1 (0.73) HDAC1KCNH2
SCHEMBL2076403 0.86 HDAC1 (0.63) HDAC1KCNH2
SCHEMBL2076210 0.86 HDAC1 (0.65) HDAC1KCNH2
SCHEMBL2075862 0.86 HDAC1 (0.63) HDAC1KCNH2

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
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed