SCHEMBL8085653

SCHEMBL8085653

O=C(O)c1cnc(N2CCOCC2)nc1S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
PTPN11 Q06124 1/20 0.52
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
PIK3CA P42336 2/20 0.42
HSD11B1 P28845 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8077832 0.85 POLB (0.56) POLBALDH1A1PTPN11SMN1; SMN2
SCHEMBL245978 0.82 PTPN11 (0.69) POLBKDM4EALDH1A1PTPN11PRKAB2
SCHEMBL27533652 0.82 POLB (0.59) POLBKDM4EALDH1A1PTPN11PRKAB2
SCHEMBL1013949 0.82 POLB (0.59) POLBKDM4EALDH1A1PTPN11MAPK1
SCHEMBL1018223 0.79 HSD11B1 (0.58) POLBKDM4EALDH1A1PTPN11PRKAB2
SCHEMBL1015076 0.79 HSD11B1 (0.57) POLBKDM4EALDH1A1PTPN11PRKAB2
SCHEMBL6016519 0.78 PTPN11 (0.57) POLBKDM4EALDH1A1PTPN11MAPK1
SCHEMBL1014270 0.77 HSD11B1 (0.59) POLBKDM4EALDH1A1PTPN11PRKAB2
SCHEMBL10327665 0.77 PIK3CA (0.56) POLBKDM4EALDH1A1PTPN11PIK3CA
SCHEMBL1015254 0.77 HSD11B1 (0.59) POLBKDM4EALDH1A1PTPN11PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 US disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed