SCHEMBL5497539

SCHEMBL5497539

CCCCCCCC#CCn1nc(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.50
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.41
ENPP2 Q13822 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL5493675 0.85 TSHR (0.56) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL8442721 0.83 TSHR (0.48) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL5497540 0.82 MEN1 (0.47) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL5493090 0.78 FAAH (0.46) HSD17B10CYP2C9CYP2C19
SCHEMBL3410006 0.77 FAAH (0.32) MEN1KMT2AHSD17B10
SCHEMBL8305027 0.75 TSHR (0.48) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL13649477 0.73 MEN1 (0.37) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL23297274 0.71 MEN1 (0.55) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL5493680 0.71 TSHR (0.46) MEN1KMT2ATSHRPOLBMAPT
SCHEMBL23297284 0.70 MEN1 (0.60) 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 14 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
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
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