SCHEMBL369482

SCHEMBL369482

O=C(O)COC(c1cccnc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NAPRT Q6XQN6 1/20 0.41
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40
FFAR1 O14842 1/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
KCNA5 P22460 1/20 0.38
PDE4D Q08499 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2412821 0.86 TBXAS1 (0.44) TBXAS1SMN1; SMN2NAPRTCFTRSLC6A2
SCHEMBL7824306 0.83 ALOX15 (0.41) L3MBTL1CYP2C19
Acetic Acid SCHEMBL27871968 0.74 LMNA (0.42) TBXAS1PLA2G7MGLLABHD6SMN1; SMN2
SCHEMBL17541025 0.74 CFTR (0.42) PLA2G7MGLLABHD6SMN1; SMN2NAPRT
SCHEMBL13829487 0.74 CFTR (0.42) PLA2G7MGLLABHD6SMN1; SMN2NAPRT
SCHEMBL15579711 0.73 SLC6A2 (0.44) PLA2G7MGLLABHD6SMN1; SMN2CFTR
SCHEMBL15579729 0.73 SLC6A2 (0.44) PLA2G7MGLLABHD6SMN1; SMN2CFTR
SCHEMBL12199685 0.73 SLC6A2 (0.44) PLA2G7MGLLABHD6SMN1; SMN2CFTR
SCHEMBL12199164 0.73 SLC6A2 (0.44) PLA2G7MGLLABHD6SMN1; SMN2CFTR
SCHEMBL15579732 0.73 SLC6A2 (0.44) PLA2G7MGLLABHD6SMN1; SMN2CFTR

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-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed