SCHEMBL4033532

SCHEMBL4033532

CC(O)(NC(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
CYP2C9 P11712 1/20 0.49
EPHX1 P07099 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
PDK1 Q15118 5/20 0.46
PDK2 Q15119 5/20 0.46
PDK3 Q15120 5/20 0.46
PDK4 Q16654 5/20 0.46
KCNJ11 Q14654 3/20 0.46
ABCC9 O60706 2/20 0.46
ABCC8 Q09428 2/20 0.46
KCNJ8 Q15842 2/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ABCB11 O95342 1/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 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
SCHEMBL16879817 0.81 NPC1 (0.49) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL29050657 0.80 POLB (0.61) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL1004510 0.79 NPC1 (0.50) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL408310 0.78 CYP2C9 (0.67) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL118008 0.78 HDAC3 (0.54) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL18455144 0.77 SMN1; SMN2 (0.51) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL12024336 0.77 POLB (0.62) POLBSMN1; SMN2CYP2C9EPHX1NPC1
Acetic Acid SCHEMBL6202098 0.77 POLB (0.53) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL10504078 0.77 POLB (0.58) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL7635937 0.76 POLB (0.57) POLBSMN1; SMN2CYP2C9EPHX1NPC1

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-2029540-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO Amgen Inc. (US) 2009-03-04 EP disclosed
WO-2007145834-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. (US) 2007-12-21 WO disclosed