SCHEMBL8091001

SCHEMBL8091001

CN(C)c1ncc(C(=O)O)c(S)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALOX15 P16050 1/20 0.52
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
BRD9 Q9H8M2 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36

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
SCHEMBL2880540 0.84 HPGD (0.69) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL13983005 0.80 HPGD (1.00) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL27450921 0.79 HPGD (0.67) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL10827596 0.76 HPGD (0.63) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL27923036 0.76 HPGD (0.44) HPGDALDH1A1KDM4EGABRPGABRD
SCHEMBL8085682 0.75 THRB (0.50) HPGDALDH1A1KDM4EKMT2ACYP1A2
SCHEMBL3442522 0.73 HPGD (0.59) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL14625853 0.71 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL1013198 0.70 HPGD (0.55) HPGDALDH1A1HSD17B10KDM4EALOX15
SCHEMBL185994 0.69 ALDH1A1 (1.00) HPGDALDH1A1HSD17B10KDM4EALOX15

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