SCHEMBL468074

SCHEMBL468074

FC(F)(F)Oc1s[c]nc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
METAP2 P50579 1/20 0.33
SCN9A Q15858 2/20 0.31
ALOX15 P16050 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL468159 0.77 ALDH1A1 (0.41) ALOX15
SCHEMBL468072 0.74 METAP2 (0.33) DYRK1AMETAP2SCN9AKIF11
SCHEMBL4720883 0.72 TTK (0.40)
SCHEMBL4719956 0.70 SOAT1 (0.38)
SCHEMBL4724668 0.69 SOAT1 (0.43) DYRK1A
SCHEMBL330399 0.67 ALDH1A1 (0.44) ALOX15
SCHEMBL331177 0.66 RARA (0.40) ALOX15
SCHEMBL557950 0.66 KDM4E (0.42) ALOX15
SCHEMBL28499884 0.64 BCAT2 (0.40) METAP2SCN9AKIF11
SCHEMBL15202406 0.63 ALOX15 (0.41) METAP2SCN9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed