SCHEMBL3426051

SCHEMBL3426051

O=S(=O)(O)CN(CS(=O)(=O)O)N=Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 9/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 2/20 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
SCHEMBL13252237 1.00 POLB (0.47) POLBCYP2D6MAPTALDH1A1TRPA1
SCHEMBL3422880 0.82 POLB (0.53) POLBCYP2D6MAPTALDH1A1MEN1
Azobenzene SCHEMBL28447456 0.73 POLB (0.71) POLBCYP2D6MAPTALDH1A1TRPA1
Azobenzene SCHEMBL27983410 0.73 POLB (0.71) POLBCYP2D6MAPTALDH1A1TRPA1
SCHEMBL13803508 0.71 ALDH1A1 (0.57) POLBCYP2D6MAPTALDH1A1TRPA1
SCHEMBL10598054 0.71 ALDH1A1 (0.57) POLBCYP2D6MAPTALDH1A1TRPA1
SCHEMBL973245 0.70 MAPT (0.55) MAPTALDH1A1TRPA1MEN1KMT2A
SCHEMBL3500948 0.70 MAPT (0.55) MAPTALDH1A1TRPA1MEN1KMT2A
SCHEMBL973244 0.70 MAPT (0.55) MAPTALDH1A1TRPA1MEN1KMT2A
Azobenzene SCHEMBL29181662 0.69 POLB (0.65) POLBCYP2D6MAPTALDH1A1TRPA1

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
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
Send feedback