SCHEMBL14503148

SCHEMBL14503148

COc1cnc(NS(=O)(=O)c2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.53
GBA1 P04062 1/20 0.52
PTGS2 P35354 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
ALDH1A1 P00352 1/20 0.47
GALR2 O43603 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL5382192 0.84 LMNA (0.52) MAPTLMNAGBA1MEN1KMT2A
SCHEMBL14503530 0.80 MAPK1 (0.58) MAPTLMNAPTGS2KMT2ANPSR1
SCHEMBL14503015 0.79 MEN1 (0.75) MAPTLMNAGBA1PTGS2MEN1
SCHEMBL14503062 0.79 NPSR1 (0.56) MAPTLMNAPTGS2KMT2ANPSR1
SCHEMBL29028843 0.75 MEN1 (0.77) MAPTLMNAGBA1MEN1KMT2A
SCHEMBL14504503 0.75 NPSR1 (0.68) MAPTLMNAGBA1PTGS2MEN1
SCHEMBL14503557 0.75 PTGS2 (0.50) MAPTLMNAPTGS2MEN1KMT2A
SCHEMBL14503056 0.75 CA1 (0.76) MAPTLMNAPTGS2MEN1KMT2A
SCHEMBL14503065 0.74 EDNRA (0.55) MEN1KMT2A
SCHEMBL14503402 0.74 ROCK2 (0.56) MAPTLMNAMEN1KMT2ACA12

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