SCHEMBL17090441

SCHEMBL17090441

Cc1cc(CF)ccc1NCCCCCNS(=O)(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
VDR P11473 2/20 0.33
AR P10275 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDK1 Q15118 2/20 0.31
PDK2 Q15119 2/20 0.31
PDK3 Q15120 2/20 0.31
PDK4 Q16654 2/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL13564919 0.84 MAPT (0.53) MAPTPOLBL3MBTL1VDRAR
SCHEMBL11935643 0.77 RAD52 (0.34) MAPTPOLBL3MBTL1VDRAR
SCHEMBL13566039 0.76 BCHE (0.36) MAPTPOLBL3MBTL1EPHX1GUCY1A1
SCHEMBL13565217 0.75 HDAC1 (0.35) MAPTPOLBVDRARGUCY1A1
SCHEMBL13564774 0.75 MAPT (0.39) MAPTPOLBL3MBTL1VDRAR
SCHEMBL13565231 0.75 PKM (0.41) MAPTPOLBL3MBTL1EPHX1LMNA
SCHEMBL13462703 0.75 HCAR3 (0.38) MAPTEPHX1LMNASMN1; SMN2HTT
SCHEMBL11935350 0.75 BRD4 (0.38) MAPTALDH1A1GAA
SCHEMBL17090327 0.74 TP53 (0.41) MAPTPOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL13565878 0.74 HRH3 (0.37) MAPTSMN1; SMN2HTTALDH1A1MEN1

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed