SCHEMBL4408732

SCHEMBL4408732

N#C/C(N)=C/c1ccc(N2CCCCCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
SLC16A3 O15427 2/20 0.46
SLC16A1 P53985 2/20 0.46
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
BLM P54132 3/20 0.39
MAP4K4 O95819 1/20 0.38
S100B P04271 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL160263 0.86 KMT2A (0.68) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL10046803 0.84 MEN1 (0.54) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL12445012 0.81 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL15297121 0.76 SMN1; SMN2 (0.45) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL159816 0.73 ALDH1A1 (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL28123361 0.71 ALDH1A1 (0.59) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL15976200 0.70 CYP11B1 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL142269 0.70 CYP11B1 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL31539850 0.69 MEN1 (0.97) MEN1KMT2ALMNASMN1; SMN2TNNI3
SCHEMBL10151823 0.69 MEN1 (0.64) MEN1KMT2ALMNASMN1; SMN2TNNI3

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
EP-2261270-B1 Polymer, producing method thereof, and photorefractive composition NITTO DENKO CORP (JP) 2012-05-09 EP disclosed