SCHEMBL28067255

SCHEMBL28067255

NCc1ccc(OB(O)O)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.48
F11 P03951 1/20 0.48
ABAT P80404 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 6/20 0.41
LOXL2 Q9Y4K0 4/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
F10 P00742 1/20 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
SCHEMBL3591237 0.98 ST14 (0.50) ST14F11ABATHRH3MAOB
Hydrochloric Acid SCHEMBL3457459 0.96 F11 (0.54) ST14F11ABATHRH3MAOB
SCHEMBL28069904 0.92 HRH3 (0.56) ST14F11ABATHRH3MAOB
SCHEMBL29278208 0.87 ST14 (0.41) ST14F11ABATHRH3MAOB
SCHEMBL29112149 0.81 TAAR1 (0.55) MAOB
SCHEMBL15452913 0.78 HRH3 (0.35) HRH3
SCHEMBL3800806 0.78 CA1 (0.38)
SCHEMBL29643534 0.78 ENPP2 (0.48) ST14F11MAOBLOXL2F10
SCHEMBL27569009 0.78 ENPP2 (0.48) ST14F11MAOBLOXL2F10
SCHEMBL1251529 0.77 LTA4H (0.50) HRH3

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
CN-105738435-A Fluorinion polymer film potential type sensor and application thereof 中国科学院烟台海岸带研究所 2016-07-06 CN claimed
CN-105548302-A Detecting method of free radical reaction YANTAI INST COASTAL ZONE RES CAS 2016-05-04 CN claimed
CN-105738435-A Fluorinion polymer film potential type sensor and application thereof 中国科学院烟台海岸带研究所 2016-07-06 CN disclosed
CN-105548302-A Detecting method of free radical reaction YANTAI INST COASTAL ZONE RES CAS 2016-05-04 CN disclosed