SCHEMBL5310221

SCHEMBL5310221

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.40
IKBKB O14920 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TDO2 P48775 1/20 0.38
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5311247 0.83 ADORA2A (0.38) KDM4EALDH1A1HSD17B10IKBKBNOTUM
SCHEMBL5315316 0.80 NOTUM (0.41) HSD17B10NPSR1NOTUMNPC1RAB9A
SCHEMBL5310750 0.79 KDM4E (0.36) KDM4EALDH1A1NOTUMSMN1; SMN2
SCHEMBL8148454 0.76 RXRA (0.51) KDM4EGAAACHELMNAL3MBTL1
SCHEMBL27850006 0.76 KDM4E (0.38) KDM4EALDH1A1HSD17B10NPSR1XBP1
SCHEMBL8138706 0.73 PTGS2 (0.53) HDAC4HDAC6
SCHEMBL7602471 0.71 NPC1 (0.46) KDM4EALDH1A1NPSR1NPC1RAB9A
SCHEMBL7601915 0.70 STAT3 (0.41) KDM4EHDAC4HDAC6MEN1KMT2A
SCHEMBL15578377 0.70 KIF11 (0.40) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL21339924 0.68 HDAC6 (0.44) IKBKBNPC1RAB9ATDO2HDAC4

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