SCHEMBL12445012

SCHEMBL12445012

[C-]#[N+]/C(C#N)=C\c1ccc(N2CCCCCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 5/20 0.42
BLM P54132 3/20 0.36
THRB P10828 1/20 0.36
TERT O14746 1/20 0.35
MAPK1 P28482 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL12445013 0.84 MEN1 (0.45) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL160263 0.83 KMT2A (0.68) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL10046803 0.81 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL4408732 0.81 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL141719 0.79 MAPT (0.63) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL140748 0.79 MAPT (0.63) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL15297121 0.73 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNATNNI3
SCHEMBL159816 0.70 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL15976200 0.70 CYP11B1 (0.50) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL142269 0.70 CYP11B1 (0.50) MEN1KMT2ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130128339-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2013-05-23 US disclosed
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