SCHEMBL3917038

SCHEMBL3917038

Nc1c(N=Nc2ccc(S(=O)(=O)O)cc2)cccc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.58
▸ POLB P06746 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ APP P05067 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SNCA P37840 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SENP2 Q9HC62 7/20 0.49
▸ SENP1 Q9P0U3 6/20 0.49
▸ SUMO2 P61956 4/20 0.49
▸ SUMO1 P63165 4/20 0.49
▸ SENP7 Q9BQF6 4/20 0.49

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
SCHEMBL11442273 0.76 MEN1 (0.54) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL3427310 0.76 POLB (0.61) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL12177970 0.76 ATIC (0.65) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL28560987 0.76 POLB (0.83) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL18624977 0.76 POLB (0.83) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL11128580 0.76 ENPP2 (0.54) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL944050 0.76 ENPP2 (0.54) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL2121363 0.75 ATIC (0.61) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL7521259 0.75 RPS6KA3 (0.58) ATICPOLBCYP2D6MEN1ALDH1A1
SCHEMBL7534490 0.75 RPS6KA3 (0.58) ATICPOLBCYP2D6MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038647-A2 AUTHENTICATION OF INGESTIBLE PRODUCTS USING SACCHARIDES AS MARKERS Authentix, Inc. (US) 2009-03-25 — — EP disclosed
WO-2008002987-A2 AUTHENTICATION OF INGESTIBLE PRODUCTS USING SACCHARIDES AS MARKERS AUTHENTIX, INC. (US) 2008-01-03 — — WO disclosed
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