SCHEMBL14503231

SCHEMBL14503231

O=C(Nc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
RORC P51449 1/20 0.50
PTGS2 P35354 1/20 0.49
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 2/20 0.46
GBA1 P04062 2/20 0.45
IDH2 P48735 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LCK P06239 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
SCHEMBL14505122 0.89 CA12 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14503321 0.89 SMN1; SMN2 (0.54) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14503143 0.87 PTGS2 (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14503227 0.87 PTGS2 (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14503546 0.86 MAPT (0.54) SMN1; SMN2LMNAPTGS2HTTNPC1
SCHEMBL14504207 0.85 KMT2A (0.58) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14503855 0.85 LMNA (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL14505245 0.85 MAPT (0.50) SMN1; SMN2LMNAPTGS2HTTNPC1
SCHEMBL14504974 0.84 NPSR1 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5376218 0.84 TSHR (0.39) CA12CA1CA2CA9SMN1; SMN2

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