SCHEMBL3425849

SCHEMBL3425849

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PHLPP2 Q6ZVD8 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
RPS6KA3 P51812 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
TBXA2R P21731 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIRT5 Q9NXA8 2/20 0.36
NME4 O00746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
ADORA2A P29274 1/20 0.36
AVPR2 P30518 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
SCHEMBL3423709 0.84 POLB (0.54) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL3425860 0.83 POLB (0.51) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL3424244 0.80 MAPT (0.50) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL3425750 0.79 P2RX3 (0.40) CA1CA2ALDH1A1MAPTTBXA2R
SCHEMBL3423902 0.78 MAPT (0.52) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL3428025 0.78 POLB (0.53) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL11331835 0.76 POLB (0.60) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL11331831 0.76 POLB (0.60) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL18624977 0.72 POLB (0.83) POLBCYP2D6MEN1KMT2APHLPP2
SCHEMBL28560987 0.72 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