SCHEMBL6418952

SCHEMBL6418952

FC(F)(F)c1ccccc1C=CC=CC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
NFKB1 P19838 1/20 0.51
BACE1 P56817 1/20 0.47
P4HB P07237 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
NFE2L2 Q16236 1/20 0.41
LMNA P02545 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MAOA P21397 1/20 0.40
TNF P01375 2/20 0.39

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
SCHEMBL5492342 0.86 NFKB1 (0.56) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL5492352 0.86 NFKB1 (0.56) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL1047716 0.79 NFKB1 (0.56) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL1047717 0.79 NFKB1 (0.56) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL6662586 0.77 NFKB1 (0.65) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL5601098 0.77 MAOB (0.78) MAOBNFE2L2LMNATRPA1ALDH1A1
SCHEMBL30584115 0.77 NFKB1 (0.59) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL1403287 0.77 NFKB1 (0.59) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL1403288 0.77 NFKB1 (0.59) MAOBNFKB1BACE1P4HBABCG2
SCHEMBL3244255 0.76 NFKB1 (0.48) MAOBNFKB1BACE1P4HBABCG2

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-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 US disclosed
EP-0590145-B1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1998-09-02 EP disclosed
US-5512490-A SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS TRUSTEES OF TUFTS COLLEGE (US) 1996-04-30 US disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 US disclosed