SCHEMBL9116345

SCHEMBL9116345

Cc1ccc(S(=O)(=O)N2CCNCCN(CCCN)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL3970109 0.90 L3MBTL1 (0.63) L3MBTL1PKMALDH1A1HTTPOLB
SCHEMBL8618885 0.85 KDM4E (0.49) L3MBTL1ALDH1A1TP53
SCHEMBL24324169 0.84 L3MBTL1 (0.59) L3MBTL1PKMALDH1A1HTTPOLB
SCHEMBL23775546 0.83 L3MBTL1 (0.68) L3MBTL1PKMALDH1A1HTTPOLB
SCHEMBL23646022 0.83 L3MBTL1 (0.71) L3MBTL1PKMALDH1A1HTTPOLB
SCHEMBL3977980 0.83 PKM (0.71) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL6013980 0.83 PKM (0.71) PKMALDH1A1HTTPOLBKMT2A
Propane SCHEMBL8394288 0.81 PKM (0.65) PKMALDH1A1HTTPOLBKMT2A
Bromide SCHEMBL3970603 0.81 PKM (0.69) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL5955341 0.81 MAPT (0.69) PKMALDH1A1HTTPOLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995019185-A1 FUNCTIONALIZED AZA-MACROBICYCLIC LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-07-20 WO disclosed