SCHEMBL3423709

SCHEMBL3423709

O=C(O)CNN=Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PHLPP2 Q6ZVD8 3/20 0.43
RPS6KA3 P51812 1/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 2/20 0.37
GAA P10253 1/20 0.37
MMP12 P39900 1/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NT5E P21589 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL3425849 0.84 POLB (0.51) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL3428025 0.80 POLB (0.53) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL3423108 0.79 TDP1 (0.45) POLBCYP2D6MEN1KMT2ATSHR
SCHEMBL3425860 0.79 POLB (0.51) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL11331835 0.78 POLB (0.60) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL11331831 0.78 POLB (0.60) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL5571221 0.78 CES2 (0.38) MEN1KMT2ALMNACA1CA2
SCHEMBL3423466 0.78 P2RX5 (0.38) POLBCYP2D6MEN1KMT2AMMP1
SCHEMBL3426161 0.76 MAPT (0.55) POLBMEN1KMT2ASMN1; SMN2GAA
SCHEMBL18624977 0.74 POLB (0.83) POLBCYP2D6MEN1KMT2APHLPP2

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