SCHEMBL13699182

SCHEMBL13699182

N#Cc1ccc(C(=O)NCCCCCNC(=O)c2cccc(S(=O)(=O)NCCCCCNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
NAMPT P43490 4/20 0.46
TP53BP1 Q12888 1/20 0.44
KAT6A Q92794 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
RHOC P08134 2/20 0.43
RHOA P61586 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
DDR1 Q08345 1/20 0.42
HTT P42858 1/20 0.41
F2 P00734 1/20 0.41
TMPRSS6 Q8IU80 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
SCHEMBL13699124 0.87 CA2 (0.52) LMNARAB9ANAMPTTP53BP1ALDH1A1
SCHEMBL13699273 0.86 F2 (0.56) LMNARAB9ANAMPTTP53BP1ALDH1A1
SCHEMBL13699185 0.80 NAMPT (0.45) RAB9ANAMPTTP53BP1ALDH1A1POLB
SCHEMBL13699125 0.76 RAB9A (0.51) LMNARAB9ANAMPTPOLBHTT
SCHEMBL5515823 0.73 NAMPT (0.67) RAB9ANAMPTHDAC3HDAC1
SCHEMBL5543873 0.73 NAMPT (0.67) RAB9ANAMPTHDAC3HDAC1
SCHEMBL20707157 0.73 NAMPT (0.67) RAB9ANAMPTHDAC3HDAC1
SCHEMBL5546309 0.73 NAMPT (0.67) RAB9ANAMPTHDAC3HDAC1
SCHEMBL13699130 0.73 CA2 (0.66) RHOCRHOAHDAC3HDAC1
SCHEMBL5536198 0.71 NAMPT (0.64) RAB9ANAMPTALDH1A1HDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed