SCHEMBL8631891

SCHEMBL8631891

Cc1ccc(S(=O)(=O)N2CCNCCNCCNCCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
PKM P14618 3/20 0.66
ALDH1A1 P00352 3/20 0.66
HTT P42858 2/20 0.66
POLB P06746 1/20 0.66
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL8134887 1.00 MAPT (0.67) MAPTPKMALDH1A1HTTPOLB
SCHEMBL3419433 1.00 MAPT (0.67) MAPTPKMALDH1A1HTTPOLB
Bromide SCHEMBL3967182 0.98 MAPT (0.65) MAPTPKMALDH1A1HTTPOLB
SCHEMBL651924 0.98 MAPT (0.69) MAPTPKMALDH1A1HTTPOLB
SCHEMBL9122576 0.98 MAPT (0.69) MAPTPKMALDH1A1HTTPOLB
SCHEMBL5955341 0.98 MAPT (0.69) MAPTPKMALDH1A1HTTPOLB
SCHEMBL6013980 0.96 PKM (0.71) MAPTPKMALDH1A1HTTPOLB
Hydrochloric Acid SCHEMBL3244036 0.96 ALDH1A1 (0.67) MAPTPKMALDH1A1HTTPOLB
SCHEMBL3977980 0.96 PKM (0.71) MAPTPKMALDH1A1HTTPOLB
Bromide SCHEMBL3970603 0.95 PKM (0.69) MAPTPKMALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830351-A1 PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES MONSANTO COMPANY (US) 1998-03-25 EP disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
WO-1996040658-A1 PROCESS FOR PREPARING SUBSTITUTED POLYAZAMACROCYCLES MONSANTO COMPANY (US) 1996-12-19 WO disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed