SCHEMBL8085672

SCHEMBL8085672

CN(C)c1ncc(C(=O)NCc2ccccc2)c(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
THRB P10828 1/20 0.50
ADORA2A P29274 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.48
EGLN1 Q9GZT9 1/20 0.48
CNR2 P34972 3/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGDS O60760 1/20 0.45

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
SCHEMBL8085682 0.85 THRB (0.50) NR3C1THRBADORA2AKMT2AL3MBTL1
SCHEMBL4060965 0.82 KMT2A (0.53) NR3C1THRBHTTKMT2AL3MBTL1
SCHEMBL8085675 0.80 HPGDS (0.64) NR3C1THRBHTTKMT2AL3MBTL1
SCHEMBL27450921 0.75 HPGD (0.67) HTTKMT2AMEN1ALDH1A1HPGD
SCHEMBL13996895 0.74 CASR (0.67) HTTKMT2ANPC1ALDH1A1HPGD
SCHEMBL2907928 0.74 ADORA2A (0.60) ADORA2AHTTKMT2AL3MBTL1MEN1
SCHEMBL12929680 0.74 HPGDS (0.60) NR3C1THRBADORA2AKMT2AL3MBTL1
SCHEMBL14769150 0.73 RXFP1 (0.52) ADORA2AKMT2AMEN1ALDH1A1HPGD
SCHEMBL4132347 0.72 CCNE1 (0.51) HTTKMT2AL3MBTL1MEN1NPC1
SCHEMBL22573588 0.72 HPGDS (0.58) THRBL3MBTL1CNR2HPGDS

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