SCHEMBL5818489

SCHEMBL5818489

CCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(CC)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.63
KCNH2 Q12809 4/20 0.56
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.48

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
SCHEMBL4897259 0.90 HDAC1 (0.69) HDAC1KCNH2HDAC2
SCHEMBL3622271 0.89 HDAC1 (0.70) HDAC1KCNH2HDAC2
SCHEMBL2077612 0.87 HDAC1 (0.71) HDAC1KCNH2
SCHEMBL5819219 0.86 HDAC1 (0.54) HDAC1KCNH2HDAC2
SCHEMBL4887537 0.82 HDAC1 (0.67) HDAC1KCNH2HDAC2HDAC3
SCHEMBL30444370 0.82 HDAC1 (0.68) HDAC1KCNH2HDAC2HDAC3
SCHEMBL3618240 0.82 HDAC1 (0.68) HDAC1KCNH2HDAC2HDAC3
SCHEMBL4892787 0.81 HDAC1 (0.65) HDAC1KCNH2HDAC2HDAC3
SCHEMBL2759480 0.80 HDAC1 (0.74) HDAC1HDAC2HDAC3
SCHEMBL12842027 0.80 HDAC1 (0.54) 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 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 disclosed