SCHEMBL4699112

SCHEMBL4699112

NCCCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GABRA5 P31644 1/20 0.41
RXRA P19793 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
SCN9A Q15858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL16592115 0.95 MRGPRX4 (0.46) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL2001524 0.91 HPGD (0.48) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL4121890 0.85 HPGD (0.46) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL6270313 0.85 MRGPRX4 (0.46) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL5079495 0.84 HPGD (0.48) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL3159889 0.84 HPGD (0.48) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL6267415 0.83 MRGPRX4 (0.45) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL10274190 0.83 HPGD (0.54) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL2127040 0.83 HPGD (0.47) HPGDKMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL2127531 0.83 MRGPRX4 (0.47) HPGDKMT2AMAPK1TSHRSMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-7034035-B2 Fungicidal mono-, bi-, and tri-cycloheteroalkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2006-04-25 US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
EP-1234823-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234826-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234824-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234825-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1234827-A2 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation Dow AgroSciences LLC (US) 2002-08-28 EP disclosed
EP-1204643-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-05-15 EP disclosed
EP-1196388-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION Dow AgroSciences LLC (US) 2002-04-17 EP disclosed
US-6355660-B1 HETEROCYCLIC FUNGICIDES SUBSTITUTED WITH AMIDE GROUPS DOW AGROSCIENCES LLC 2002-03-12 US disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed