SCHEMBL973620

SCHEMBL973620

O=[N+]([O-])c1[c]c(C(F)(F)F)ccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
TSHR P16473 2/20 0.34
KIF11 P52732 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GPR35 Q9HC97 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
MAPT P10636 2/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
SCN2A Q99250 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11204019 0.81 ALDH1A1 (0.36) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL58486 0.79 TSHR (0.46) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL2350187 0.74 TSHR (0.38) LMNATSHRTDP1FBP1ALDH1A1
SCHEMBL262125 0.73 TSHR (0.36) TSHRKIF11ALDH1A1
SCHEMBL1531199 0.72 CYP19A1 (0.39) LMNATSHRKIF11TDP1ALDH1A1
SCHEMBL6223113 0.72 ALDH1A1 (0.46) LMNATSHRKIF11TDP1ALDH1A1
SCHEMBL27490815 0.70 ALDH1A1 (0.33) TSHRTDP1ALDH1A1CYP3A4HPGD
SCHEMBL3317507 0.69 ALDH1A1 (0.41) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL6310965 0.69 TSHR (0.38) LMNATSHRTDP1FBP1ALDH1A1
SCHEMBL261451 0.69 TDP1 (0.45) LMNATSHRTDP1ALDH1A1GPR35

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