SCHEMBL28096203

SCHEMBL28096203

CN(C)c1cc[nH+]cc1.F[B-](F)(F)F.N#CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ ALOX15 P16050 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 4/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ APP P05067 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 3/20 0.32
▸ HBB P68871 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CHRM5 P08912 1/20 0.32

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
Cyanate SCHEMBL27860114 0.94 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL13739079 0.89 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL22126285 0.72 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL2946853 0.71 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL161677 0.68 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL4531332 0.68 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL9066082 0.66 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1TSHRALOX15
Nitrogen SCHEMBL11320577 0.66 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1TSHR
Acetonitrile SCHEMBL28221268 0.65 CHKA (0.36) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL1157100 0.65 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1TSHR

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-101932698-B Fermentation process for culturing streptococcus and purification process for extracting CPS therefrom 诺华股份有限公司 2016-09-21 — — CN disclosed
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