SCHEMBL3428781

SCHEMBL3428781

O=S(=O)(O)CNN=Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX5 Q93086 2/20 0.39
▸ P2RX4 Q99571 2/20 0.39
▸ P2RX2 Q9UBL9 2/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ ENPP2 Q13822 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ P2RY1 P47900 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ SENP2 Q9HC62 3/20 0.37
▸ SENP3 Q9H4L4 2/20 0.37
▸ SENP1 Q9P0U3 2/20 0.37
▸ SUMO2 P61956 2/20 0.37

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
SCHEMBL3426055 0.84 P2RX5 (0.39) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL3423466 0.83 P2RX5 (0.38) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL3425750 0.81 P2RX3 (0.40) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL3425746 0.81 MAPT (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL3423105 0.80 CYP1A2 (0.36) ALDH1A1TDP1MAPTSENP2SENP3
SCHEMBL3428025 0.76 POLB (0.53) ALDH1A1TDP1RAB9ASENP2SUMO2
SCHEMBL11200836 0.75 MEN1 (0.46) P2RX5P2RX4P2RX2ENPP2ALDH1A1
SCHEMBL3423642 0.75 CYP1A2 (0.55) ALDH1A1TDP1MAPTSENP2SENP3
SCHEMBL9781576 0.74 P2RX5 (0.44) P2RX5P2RX4P2RX2ENPP1ENPP2
SCHEMBL3423537 0.73 P2RX5 (0.39) P2RX5P2RX4P2RX2ENPP1ENPP2

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
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
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 — — EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 — — WO disclosed
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