SCHEMBL14503407

SCHEMBL14503407

COc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)c(O)c2)nc(N2CCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RORC P51449 1/20 0.51
▸ PTGS2 P35354 3/20 0.50
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ TCF7L2 Q9NQB0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL14503398 0.92 LMNA (0.58) MEN1KMT2ALMNAALOX15TSHR
SCHEMBL14503143 0.92 PTGS2 (0.56) MEN1KMT2ALMNAHSD17B10RORC
SCHEMBL14503227 0.92 PTGS2 (0.56) MEN1KMT2ALMNAHSD17B10RORC
SCHEMBL14503524 0.88 PTGS2 (0.54) MEN1KMT2ALMNAPTGS2SMN1; SMN2
SCHEMBL14503584 0.86 ALDH1A1 (0.51) MEN1KMT2ALMNAHSD17B10RORC
SCHEMBL5400796 0.86 SCN9A (0.42) MEN1KMT2ALMNAALOX15TSHR
SCHEMBL14503163 0.85 PTGS2 (0.57) MEN1KMT2ALMNAALOX15TSHR
SCHEMBL14503191 0.85 PTGS2 (0.57) MEN1KMT2ALMNAALOX15TSHR
SCHEMBL14503697 0.85 CA12 (0.49) MEN1KMT2ALMNAHSD17B10RORC
SCHEMBL14503582 0.85 PTGS2 (0.51) MEN1KMT2ARORCPTGS2HTT

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
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