SCHEMBL7017263

SCHEMBL7017263

NC(=O)c1cc(N)ccc1SSc1ccc(N)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
THRB P10828 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
GFER P55789 2/20 0.47
YWHAG P61981 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 3/20 0.44
RECQL P46063 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL19445594 0.84 KDM4E (0.45) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL8570801 0.84 MITF (0.53) MAPTMEN1KMT2ATHRBALOX15
SCHEMBL20196915 0.80 ALOX15 (0.41) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL20196932 0.80 KMT2A (0.41) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL1803658 0.78 MAPT (0.53) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL9710337 0.78 KEAP1 (0.46) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL11377040 0.78 KDM4E (0.53) MAPTKDM4EHSD17B10HTTALDH1A1
SCHEMBL1708814 0.76 KMT2A (0.65) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL6523863 0.75 NOS3 (0.40) MAPTPOLBHPGDPKM
SCHEMBL894682 0.74 KDM4E (0.69) MAPTKDM4EMEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP claimed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO claimed
EP-0828488-B1 ISOTHIAZOLONES WARNER LAMBERT CO (US) 2003-02-12 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
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668291-A THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed
US-5668178-A VIRICIDE, BACTERICIDE, HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed
EP-0775110-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-05-28 EP disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed
WO-1996004242-A1 ARYLTHIO COMPOUNDS AS ANTIBACTERIAL AND ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-15 WO disclosed
US-5463122-A Amido-phenylthiols or dithiobisbenzamides as bactericides, viricides, retrovirus antigrowth agents; AIDS WARNER-LAMBERT COMPANY (US) 1995-10-31 US disclosed