SCHEMBL971971

SCHEMBL971971

O=[N+]([O-])c1[c]c(Br)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
PTPN5 P54829 1/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 6/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
KIF11 P52732 2/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
PLK1 P53350 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7847765 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL6223113 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1531196 0.79 CYP3A4 (0.53) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL147633 0.76 CES2 (0.37) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11750501 0.75 ERN1 (0.34) ALDH1A1CYP3A4
SCHEMBL909296 0.73 TSHR (0.45) ALDH1A1CYP3A4TSHRTDP1LMNA
SCHEMBL28723924 0.72 TSHR (0.44) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL18230298 0.72 ALDH1A1 (0.42) ALDH1A1TSHRTDP1MAPK1
SCHEMBL11444409 0.69 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4577947 0.69 ALDH1A1 (0.38) ALDH1A1TSHR

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-8568685-B2 Separation of nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-29 US disclosed
US-20110011773-A1 Separation of Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2011-01-20 US disclosed
CN-101910049-A Separation of nanostructures MASSACHUSETTS INST TECHNOLOGY 2010-12-08 CN disclosed
EP-2225174-A2 SEPARATION OF NANOSTRUCTURES Massachusetts Institute of Technology (US) 2010-09-08 EP disclosed
WO-2009070240-A2 SEPARATION OF NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-04 WO disclosed