SCHEMBL6466780

SCHEMBL6466780

O=C(O)C1C(=O)c2ccccc2NC1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ALOX15 P16050 2/20 0.34
HBB P68871 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL9744897 0.76 CREBBP (0.41) LMNATSHRTNKS2ALDH1A1MAPT
SCHEMBL16163145 0.71 LMNA (0.43) LMNATSHRTNKS2ALDH1A1MAPT
SCHEMBL7027229 0.68 MAPT (0.55) LMNATSHRALDH1A1MAPTGAA
SCHEMBL6684295 0.67 MAPT (0.46) LMNAALDH1A1MAPTNPSR1ALOX15
SCHEMBL30556308 0.67 MAOA (0.41) LMNATSHRALDH1A1MAPTNPSR1
SCHEMBL13603804 0.65 EDNRB (0.48) LMNAALDH1A1MAPTALOX15HBB
SCHEMBL3030100 0.65 MAOA (0.42) LMNATSHRTNKS2ALDH1A1MAPT
SCHEMBL31739367 0.64 TSHR (0.47) LMNATSHRTNKS2ALDH1A1GAA
SCHEMBL19492450 0.64 TSHR (0.47) LMNATSHRTNKS2ALDH1A1GAA
SCHEMBL8143860 0.64 TNKS2 (0.56) TSHRTNKS2ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP claimed
WO-2004004833-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT PHARMACIA CORPORATION (US) 2004-01-15 WO claimed