SCHEMBL7953663

SCHEMBL7953663

Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 1.00
ALDH1A1 P00352 6/20 1.00
HTT P42858 3/20 1.00
POLB P06746 1/20 1.00
KMT2A Q03164 5/20 0.81
MEN1 O00255 4/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
LMNA P02545 5/20 0.71
USP2 O75604 2/20 0.69
GAA P10253 2/20 0.69
TSHR P16473 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HSD17B10 Q99714 1/20 0.66

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
SCHEMBL10006069 1.00 PKM (1.00) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL8583228 1.00 PKM (1.00) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL8502340 1.00 PKM (1.00) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL30415581 1.00 PKM (1.00) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL3110096 1.00 PKM (1.00) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL8193968 0.98 PKM (0.96) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL10409988 0.98 PKM (0.96) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL4102676 0.98 PKM (0.96) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL31476293 0.96 ALDH1A1 (0.92) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL8200766 0.94 PKM (0.89) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204259-B1 Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY 2001-03-20 US disclosed
EP-0679155-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1997-08-20 EP disclosed
EP-0679155-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE. MONSANTO CO (US) 1995-11-02 EP disclosed
WO-1994015925-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-07-21 WO disclosed