SCHEMBL4022892

SCHEMBL4022892

O=C(O)c1cnn(CF)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
ALKBH2 Q6NS38 2/20 0.46
HPGDS O60760 1/20 0.46
ACHE P22303 3/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G4A P47712 1/20 0.41
EGLN1 Q9GZT9 4/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALKBH1 Q13686 6/20 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
SCHEMBL12804394 0.85 L3MBTL1 (0.69) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL28578166 0.84 L3MBTL1 (0.62) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL31681673 0.83 L3MBTL1 (0.67) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL18281349 0.82 L3MBTL1 (0.43) L3MBTL1ACHE
SCHEMBL29954606 0.82 L3MBTL1 (0.65) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL27806602 0.81 L3MBTL1 (0.59) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL4900355 0.80 L3MBTL1 (0.62) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL553834 0.80 L3MBTL1 (0.73) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL28316059 0.80 L3MBTL1 (0.62) L3MBTL1ALKBH2HPGDSACHEHSD17B10
SCHEMBL30535495 0.79 L3MBTL1 (0.67) L3MBTL1ALKBH2HPGDSACHEHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759345-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-2057126-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2009-05-13 EP disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 WO disclosed