SCHEMBL5315316

SCHEMBL5315316

Nc1oc(C(F)(F)F)nc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
SCN5A Q14524 9/20 0.40
TDO2 P48775 1/20 0.37
CHRNA7 P36544 1/20 0.37
SCN2A Q99250 3/20 0.37
SCN1A P35498 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP1A2 P05177 2/20 0.36
SCN9A Q15858 2/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL5310221 0.80 KDM4E (0.43) NOTUMTDO2NPSR1ADORA2ANPC1
SCHEMBL17407883 0.71 SCN5A (0.47) NISCHSCN5ACHRNA7SCN2ASCN1A
SCHEMBL16237880 0.71 TDO2 (0.41) NOTUMNISCHSCN5ATDO2NPSR1
SCHEMBL7708933 0.70 AURKA (0.46) NOTUMNISCHSCN5ASCN2ACYP1A2
SCHEMBL23618148 0.70 SCN5A (0.49) NISCHSCN5ACHRNA7SCN2ASCN1A
SCHEMBL16052005 0.70 SMN1; SMN2 (0.59) NISCHSCN5ACHRNA7SCN2ASCN1A
SCHEMBL5310750 0.69 KDM4E (0.36) NOTUMSMN1; SMN2
SCHEMBL23618149 0.68 MPL (0.55) NISCHSCN5ASCN2ASCN1ANPSR1
SCHEMBL27675967 0.67 CHRNA7 (0.62) CHRNA7ADORA2ACYP1A2NPC1ADORA3
SCHEMBL1242144 0.67 KIF11 (0.52) NOTUMNISCHSCN5ASCN2ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816347-B1 Ammonium oxazole- and amino oxazolium intermediates, methods for their preparation and their use in the manufacture of insecticidal, acaricidal and nematocidal arylpyrrole derivatives BASF AG (DE) 2007-06-20 EP claimed
US-5945538-A Ammonium oxazole and amino oxazolium intermediates, methods for the preparation thereof and the use therefor in the manufacture of insecticidal arylpyrroles AMERICAN CYANAMID COMPANY (US) 1999-08-31 US claimed
EP-0816347-A1 Ammonium oxazole- and amino oxazolium intermediates, methods for their preparation and their use in the manufacture of insecticidal, acaricidal and nematocidal arylpyrrole derivatives American Cyanamid Company (US) 1998-01-07 EP claimed
EP-0816347-B1 Ammonium oxazole- and amino oxazolium intermediates, methods for their preparation and their use in the manufacture of insecticidal, acaricidal and nematocidal arylpyrrole derivatives BASF AG (DE) 2007-06-20 EP disclosed
US-5945538-A Ammonium oxazole and amino oxazolium intermediates, methods for the preparation thereof and the use therefor in the manufacture of insecticidal arylpyrroles AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
US-5925773-A Ammonium oxazole and amino oxazolium intermediates, methods for the preparation thereof and the use thereof in the manufacture of insecticidal arylpyrroles AMERICAN CYANAMID COMPANY (US) 1999-07-20 US disclosed
EP-0816347-A1 Ammonium oxazole- and amino oxazolium intermediates, methods for their preparation and their use in the manufacture of insecticidal, acaricidal and nematocidal arylpyrrole derivatives American Cyanamid Company (US) 1998-01-07 EP disclosed