SCHEMBL10180277

SCHEMBL10180277

C[SiH2]OC(O[SiH2]C)C(C)(C)c1ccc(C=O)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 3/20 0.37
ALDH1A1 P00352 6/20 0.35
ALDH3A1 P30838 1/20 0.35
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AOX1 Q06278 1/20 0.30
TRIM24 O15164 1/20 0.30
HPGD P15428 1/20 0.30
ALDH5A1 P51649 1/20 0.30
ABAT P80404 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL10880077 0.87 ALDH1A1 (0.35) ALDH1A3ALDH1A1TSHRRAB9AAOX1
SCHEMBL321346 0.74 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH3A1TSHRNPC1
SCHEMBL3280683 0.74 ALDH1A1 (0.36) ALDH1A1TSHRNPC1RAB9ATDP1
SCHEMBL29417742 0.68 KIF11 (0.51) ALDH1A3ALDH1A1ALDH3A1TSHRRAB9A
SCHEMBL7147339 0.68 KIF11 (0.51) ALDH1A3ALDH1A1ALDH3A1TSHRRAB9A
SCHEMBL14593109 0.65 ALDH1A3 (0.41) ALDH1A3ALDH1A1ALDH3A1TSHRNPC1
SCHEMBL3631166 0.64 ALDH1A3 (0.52) ALDH1A3ALDH1A1ALDH3A1TSHRNPC1
SCHEMBL8894104 0.63 CA1 (0.32) ALDH1A1
SCHEMBL154851 0.63 ALDH1A3 (0.53) ALDH1A3ALDH1A1ALDH3A1TSHRNPC1
SCHEMBL870202 0.62 ALDH1A3 (0.52) ALDH1A3ALDH1A1ALDH3A1TSHRRAB9A

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
EP-2114873-B1 N-[3-BROMO-4-(3- [18F]FLUOROPROPOXY)-BENZYL]-GUANIDINE FOR IMAGING CARDIAC INNERVATION LANTHEUS MEDICAL IMAGING INC (US) 2013-02-20 EP disclosed
EP-2474523-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed
EP-2474526-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed
EP-2474524-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed
EP-2474525-A2 Ligands for imaging cardiac innervation Lantheus Medical Imaging, Inc. (US) 2012-07-11 EP disclosed