SCHEMBL3474873

SCHEMBL3474873

CS(=O)(=O)Nc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.60
HDAC6 Q9UBN7 1/20 0.53
PIK3CA P42336 1/20 0.50
S1PR1 P21453 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ELANE P08246 1/20 0.42
PTPN1 P18031 2/20 0.42
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PTK2 Q05397 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL3475812 0.87 FAAH (0.62) FAAHHDAC6PIK3CA
SCHEMBL3477409 0.83 FAAH (0.71) FAAHHDAC6PIK3CAALDH1A1ELANE
SCHEMBL3477307 0.81 FAAH (0.66) FAAHHDAC6PIK3CAELANE
SCHEMBL3476716 0.81 FAAH (0.63) FAAHHDAC6PIK3CA
SCHEMBL3475819 0.80 FAAH (0.65) FAAHHDAC6PIK3CAALDH1A1ELANE
SCHEMBL3477717 0.78 HDAC6 (0.67) FAAHHDAC6PIK3CAELANE
SCHEMBL3477428 0.77 FAAH (0.64) FAAHHDAC6PIK3CAELANE
SCHEMBL13436763 0.77 FAAH (0.76) FAAHHDAC6PIK3CAELANE
SCHEMBL3477494 0.76 FAAH (0.60) FAAHHDAC6PIK3CAELANE
SCHEMBL3476787 0.76 FAAH (0.72) FAAHHDAC6PIK3CAALDH1A1ELANE

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
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed
WO-2010039186-A2 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-04-08 WO disclosed