SCHEMBL14503390

SCHEMBL14503390

COc1nc(Nc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(O)c2)nc(N2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ACHE P22303 1/20 0.49
▸ CNR2 P34972 3/20 0.45
▸ MMP1 P03956 3/20 0.43
▸ MMP13 P45452 3/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL14503158 0.93 ACHE (0.55) LMNAACHECNR2MMP1MMP13
SCHEMBL14503132 0.93 ACHE (0.55) LMNAACHECNR2MMP1MMP13
SCHEMBL5375911 0.89 ACHE (0.49) LMNAALOX15KMT2AMEN1TSHR
SCHEMBL14503645 0.89 ACHE (0.50) LMNAKMT2AACHECNR2MMP1
SCHEMBL14503568 0.88 ACHE (0.51) LMNAACHECNR2MMP1MMP13
SCHEMBL14503612 0.87 ACHE (0.49) LMNAKMT2AMEN1ACHECNR2
SCHEMBL14503641 0.87 ACHE (0.49) LMNAKMT2AMEN1ACHECNR2
SCHEMBL14503178 0.87 ACHE (0.48) LMNAACHECNR2MMP1MMP13
SCHEMBL14503572 0.87 CNR2 (0.49) LMNAACHECNR2MMP1MMP13
SCHEMBL14503749 0.86 ACHE (0.47) LMNAKMT2AMEN1HSD17B10ACHE

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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