SCHEMBL6225199

SCHEMBL6225199

O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.72
TP53 P04637 2/20 0.72
RXFP1 Q9HBX9 3/20 0.68
DPP4 P27487 1/20 0.68
KMT2A Q03164 6/20 0.67
KDM4E B2RXH2 5/20 0.67
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 3/20 0.67
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PTPN1 P18031 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 2/20 0.57

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
SCHEMBL6223534 0.81 CA1 (0.71) KMT2AKDM4EMEN1ALDH1A1CA1
SCHEMBL6225889 0.79 ALDH1A1 (0.78) POLBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8665327 0.78 CA1 (0.74) RXFP1KMT2AMEN1ALDH1A1CA1
SCHEMBL6223450 0.78 CA1 (1.00) POLBKMT2AMEN1ALDH1A1CA1
SCHEMBL6224243 0.78 CA1 (0.66) POLBKMT2AMEN1ALDH1A1CA1
SCHEMBL6227739 0.78 CA1 (0.66) RXFP1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL17593142 0.77 MAPT (0.66) POLBTP53RXFP1DPP4KMT2A
SCHEMBL6226099 0.77 LMNA (0.69) TP53KMT2AMEN1ALDH1A1CA1
SCHEMBL4123540 0.76 L3MBTL1 (1.00) POLBTP53KMT2AKDM4EMEN1
SCHEMBL29552057 0.75 TP53 (0.76) POLBTP53KMT2AKDM4EMEN1

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-0775110-B1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER LAMBERT CO (US) 2005-10-05 EP claimed
EP-0775110-B1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER LAMBERT CO (US) 2005-10-05 EP disclosed
US-5929114-A ADMINISTERING ANTIVIRAL COMPOUND WHICH EXTRUDES ZINC FROM NUCLEOCAPSID PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS WARNER-LAMBERT COMPANY (US) 1999-07-27 US disclosed
US-5734081-A Arylthio compounds WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5668291-A THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed