SCHEMBL5801668

SCHEMBL5801668

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.62
KCNH2 Q12809 4/20 0.51
HDAC2 Q92769 1/20 0.46

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
SCHEMBL4898256 0.91 HDAC1 (0.66) HDAC1KCNH2HDAC2
SCHEMBL5797191 0.88 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL4892864 0.86 HDAC1 (0.65) HDAC1KCNH2HDAC2
SCHEMBL4897259 0.86 HDAC1 (0.69) HDAC1KCNH2HDAC2
SCHEMBL4899357 0.85 HDAC1 (0.70) HDAC1KCNH2HDAC2
SCHEMBL5315186 0.85 HDAC1 (0.63) HDAC1HDAC2
SCHEMBL4895844 0.85 HDAC1 (0.63) HDAC1KCNH2HDAC2
SCHEMBL4897024 0.85 HDAC1 (0.63) HDAC1KCNH2HDAC2
SCHEMBL4897918 0.84 HDAC1 (0.60) HDAC1KCNH2HDAC2
SCHEMBL4887537 0.84 HDAC1 (0.67) HDAC1KCNH2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO claimed