SCHEMBL8077832

SCHEMBL8077832

O=C(O)c1cnc(N2CCCCC2)nc1S

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.54
PTPN11 Q06124 1/20 0.48
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.47
MAPK8 P45983 1/20 0.46
CDC7 O00311 1/20 0.46
ATF1 P18846 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPT P10636 2/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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
SCHEMBL8090998 0.86 POLB (0.55) POLBSMN1; SMN2ALDH1A1PTPN11CASP1
SCHEMBL3712518 0.86 POLB (0.57) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL8085653 0.85 POLB (0.59) POLBSMN1; SMN2ALDH1A1PTPN11
SCHEMBL30331571 0.81 POLB (0.78) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL32671622 0.79 POLB (0.75) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL6016426 0.77 PTPN11 (0.53) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
Hydrochloric Acid SCHEMBL3866277 0.76 PTPN11 (0.52) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL186135 0.73 POLB (0.69) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL4820737 0.72 ALDH1A1 (0.97) POLBSMN1; SMN2ALDH1A1PTPN11LMNA
SCHEMBL25689654 0.72 ALDH1A1 (0.66) POLBSMN1; SMN2ALDH1A1PTPN11LMNA

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