SCHEMBL14504237

SCHEMBL14504237

CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.59
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 2/20 0.44
IKBKB O14920 1/20 0.42
BACE1 P56817 2/20 0.42
DPP4 P27487 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH3A1 P30838 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14503700 0.88 L3MBTL1 (0.54) CA12CA1CA2CA9POLB
SCHEMBL14503521 0.87 PTGS2 (0.52) BRPF1CA12CA1CA2CA9
SCHEMBL14504245 0.87 CA12 (0.48) BRPF1CA12CA1CA2CA9
SCHEMBL5392619 0.87 BRPF1 (0.46) BRPF1CA12CA1CA2CA9
SCHEMBL14504249 0.86 CA1 (0.47) BRPF1CA12CA1CA2CA9
SCHEMBL14504212 0.83 CA12 (0.51) CA12CA1CA2CA9POLB
SCHEMBL14504254 0.83 NPSR1 (0.54) CA12CA1CA2CA9NPSR1
SCHEMBL14505167 0.82 PTGS2 (0.53) BRPF1CA12CA1CA2CA9
SCHEMBL14504247 0.82 CA1 (0.45) BRPF1CA12CA1CA2CA9
SCHEMBL14504496 0.81 BRPF1 (0.45) BRPF1CA12CA1CA2CA9

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed