SCHEMBL28296931

SCHEMBL28296931

Nc1cccc2cccc(N)c12.[Au]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
RPS6KA3 P51812 1/20 0.52
MELK Q14680 1/20 0.52
STK24 Q9Y6E0 1/20 0.52
ALDH1A1 P00352 9/20 0.50
CYP3A4 P08684 8/20 0.50
TSHR P16473 6/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
CYP1A2 P05177 3/20 0.50
KEAP1 Q14145 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
TDP1 Q9NUW8 1/20 0.45
CASP1 P29466 2/20 0.44
ALOX15 P16050 2/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 1/20 0.43
TYMS P04818 1/20 0.42

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
SCHEMBL29349435 0.97 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL65699 0.97 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL28313238 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Fluoride SCHEMBL11274176 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL28276823 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Ammonia Solution, Strong SCHEMBL2638226 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Hydrochloric Acid SCHEMBL11698588 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL9627127 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Hydrochloric Acid SCHEMBL11277860 0.94 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL14742902 0.88 ALDH1A1 (0.59) JAK2RPS6KA3MELKSTK24ALDH1A1

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-107024461-B A kind of method of the double probe rapid detection of nitrite in food of fluorescence/colorimetric 上海应用技术大学 2019-05-28 CN disclosed