SCHEMBL14433271

SCHEMBL14433271

O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2nonc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
PTPN2 P17706 3/20 0.56
PTPN1 P18031 3/20 0.56
PTPN5 P54829 3/20 0.56
HSPD1 P10809 2/20 0.56
HSPE1 P61604 2/20 0.56
ALDH1A1 P00352 7/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.52
GFER P55789 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.48
MAPK1 P28482 2/20 0.48
ATM Q13315 1/20 0.46
TST Q16762 1/20 0.46
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL5244667 0.84 KMT2A (0.70) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5243266 0.83 KMT2A (0.69) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5281337 0.81 KMT2A (0.66) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5284552 0.80 POLB (0.63) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL14433266 0.80 KMT2A (0.76) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL8160125 0.79 ALDH1A1 (0.69) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5290647 0.78 KMT2A (0.53) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5247001 0.78 KMT2A (0.73) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL5284612 0.77 KMT2A (0.61) KMT2APTPN2PTPN1PTPN5HSPD1
SCHEMBL6390668 0.77 KMT2A (0.68) KMT2APTPN2PTPN1PTPN5HSPD1

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
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed
US-7262204-B2 Modulation of CCR4 function AMGEN INC. (US) 2007-08-28 US disclosed