SCHEMBL12445013

SCHEMBL12445013

[C-]#[N+]/C(C#N)=C\c1ccc(N2CCCCCC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BLM P54132 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 3/20 0.36

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
SCHEMBL12445012 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL10151823 0.84 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL141719 0.76 MAPT (0.63) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL140748 0.76 MAPT (0.63) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL15297120 0.75 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL20557106 0.71 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL28222865 0.70 AR (0.57) AR
SCHEMBL22569886 0.69 AR (0.55) AR
SCHEMBL15285648 0.68 AR (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL160263 0.67 KMT2A (0.68) MEN1KMT2ASMN1; SMN2LMNATNNI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985356-B2 Non-linear optical device sensitive to green laser NITTO DENKO CORPORATION (JP) 2011-07-26 US disclosed
US-7736548-B2 Non-linear optical device with long grating persistency NITTO DENKO CORPORATION (JP) 2010-06-15 US disclosed
US-20090052009-A1 NON-LINEAR OPTICAL DEVICE SENSITIVE TO GREEN LASER NITTO DENKO CORPORATION (JP) 2009-02-26 US disclosed
US-20080039603-A1 NON-LINEAR OPTICAL DEVICE WITH LONG GRATING PERSISTENCY NITTO DENKO CORPORATION (JP) 2008-02-14 US disclosed