SCHEMBL5133296

SCHEMBL5133296

O=S(=O)(O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.72
ERAP1 Q9NZ08 1/20 0.61
PFKFB3 Q16875 1/20 0.52
MGLL Q99685 3/20 0.49
PTPN1 P18031 2/20 0.48
ACLY P53396 1/20 0.47
NTRK1 P04629 1/20 0.46
FLT3 P36888 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.46
KDM1A O60341 1/20 0.45

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
SCHEMBL5525973 0.84 KIF11 (0.74) KIF11ERAP1PFKFB3PTGES2
SCHEMBL4662603 0.84 KIF11 (1.00) KIF11ERAP1PFKFB3NTRK1FLT3
SCHEMBL5133295 0.82 KIF11 (0.72) KIF11ERAP1PFKFB3MGLLPTPN1
SCHEMBL12416812 0.81 CDK1 (0.59)
SCHEMBL14009915 0.81 MGLL (0.56) KIF11PFKFB3MGLLPTPN1KDM1A
SCHEMBL27826397 0.77 CA1 (0.66) KIF11
SCHEMBL4399152 0.75 KIF11 (0.54) KIF11ERAP1PFKFB3PTPN1ACLY
SCHEMBL5425703 0.75 KIF11 (0.74) KIF11MGLL
SCHEMBL16676705 0.74 KIF11 (0.67) KIF11ERAP1PFKFB3MGLL
SCHEMBL4441545 0.73 KIF11 (0.49) KIF11ERAP1MGLLPTPN1ACLY

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-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed