SCHEMBL5497540

SCHEMBL5497540

CCCCCCCCC#Cn1nc(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.43
ENPP2 Q13822 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.39
TLR8 Q9NR97 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5493680 0.90 TSHR (0.46) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL5497539 0.82 MEN1 (0.54) MEN1KMT2ATSHRENPP2POLB
SCHEMBL5493091 0.77 FAAH (0.44)
SCHEMBL5493675 0.68 TSHR (0.56) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL9247577 0.67 L3MBTL1 (0.49) MAPTTLR8KDM4EALDH1A1SMN1; SMN2
SCHEMBL11144982 0.66 HRH3 (0.54) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL8679063 0.66 MEN1 (0.44) MEN1KMT2ATSHRENPP2POLB
SCHEMBL8675227 0.65 TSHR (0.47) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL11405317 0.65 HRH3 (0.52) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL23297274 0.64 MEN1 (0.55) MEN1KMT2ATSHRPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP claimed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP claimed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US claimed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO claimed
CN-1071090-C composition with synergistic fungicidal action ROHM & HAAS (US) 2001-09-19 CN claimed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP claimed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US claimed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP claimed
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP disclosed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP disclosed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US disclosed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO disclosed
CN-1071090-C composition with synergistic fungicidal action ROHM & HAAS (US) 2001-09-19 CN disclosed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP disclosed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US disclosed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP disclosed