SCHEMBL20945447

SCHEMBL20945447

C[N+](C)(CCCCCCCCCCCS)CCCS(=O)(=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.60
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.37
DNM1 Q05193 4/20 0.35
ENPEP Q07075 1/20 0.35
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9107831 0.88 BBOX1 (0.64) BBOX1KDM4EMAPTALOX15HTT
SCHEMBL61438 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61326 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10933662 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10937740 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL9691206 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61271 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL60617 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10975952 0.82 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10936179 0.82 BBOX1 (0.68) BBOX1HTTDNM1

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-10948395-B2 Biosensor and biochip TDK CORPORATION (JP) 2021-03-16 US disclosed
US-20200166506-A1 MODIFIED NANOPARTICLE, DISPERSION CONTAINING MODIFIED NANOPARTICLE, SET FOR RESISTIVE PULSE SENSING, SET AND REAGENT FOR DETECTING VIRUS OR BACTERIUM, AND METHOD FOR DETECTING VIRUS OR BACTERIUM NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2020-05-28 US disclosed
US-20190224671-A1 BIOSENSOR AND BIOCHIP TDK CORPORATION (JP) 2019-07-25 US disclosed
US-20190128882-A1 BIOSENSOR AND BIOCHIP TDK CORPORATION (JP) 2019-05-02 US disclosed