SCHEMBL28876217

SCHEMBL28876217

Nc1ccccc1[CH]c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.47
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
BCHE P06276 1/20 0.34
STK17B O94768 1/20 0.34
SNCA P37840 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
SCHEMBL7328580 0.82 ALOX15 (0.43) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL30565294 0.82 NFE2L2 (0.66) NFE2L2SNCA
SCHEMBL13516946 0.78 NFE2L2 (0.67) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL2494469 0.77 CYP3A4 (0.53) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL2089900 0.75 NFE2L2 (0.47) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL6253993 0.74 NFE2L2 (0.52) NFE2L2ALOX15CYP3A4CASP1CASP7
SCHEMBL576415 0.72 NFE2L2 (0.71) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL1798676 0.71 NFE2L2 (0.52) NFE2L2MAPTALDH1A1ALOX15TSHR
SCHEMBL8011556 0.71 NFE2L2 (0.48) NFE2L2
SCHEMBL29558987 0.71 PTGS2 (0.51) MAPTALDH1A1SMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106861757-B A kind of organic boron of fluorescent marker/nitrogen lewis acid base bifunctional catalyst and preparation method thereof 湖南大学 2019-08-09 CN disclosed