SCHEMBL3426771

SCHEMBL3426771

O=S(=O)(O)c1ccccc1N=NNCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
TTR P02766 2/20 0.34
FABP4 P15090 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 1/20 0.34
SUMO2 P61956 2/20 0.33
SUMO1 P63165 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP2 Q9HC62 2/20 0.33
SENP1 Q9P0U3 2/20 0.33
SENP3 Q9H4L4 1/20 0.33
NR4A1 P22736 1/20 0.33
CDC25A P30304 1/20 0.33
CTRB1 P17538 1/20 0.32
MYC P01106 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 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
SCHEMBL5564838 0.84 ALDH1A1 (0.38) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3423105 0.83 CYP1A2 (0.36) CYP1A2TTRFABP4CCNA2CDK2
SCHEMBL3427611 0.82 CYP1A2 (0.53) CYP1A2TTRSUMO2SUMO1SENP7
SCHEMBL3426055 0.81 P2RX5 (0.39) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL3426212 0.80 CA1 (0.37) CYP1A2TTRFABP4CCNA2CDK2
SCHEMBL3426922 0.78 CYP1A2 (0.46) CYP1A2TTRSUMO2SUMO1SENP7
SCHEMBL11800690 0.78 CYP1A2 (0.40) CYP1A2TTRFABP4CCNA2CDK2
SCHEMBL3790419 0.77 CYP1A2 (0.50) CYP1A2TTRFABP4CCNA2CDK2
SCHEMBL28175947 0.77 SUMO2 (0.39) CYP1A2TTRFABP4CCNA2CDK2
SCHEMBL3428032 0.76 SLC2A1 (0.37) ALDH1A1MEN1KMT2AKDM4EMPL

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