SCHEMBL3425248

SCHEMBL3425248

O=C(O)CNN=Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
TTR P02766 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NSD2 O96028 2/20 0.38
POLB P06746 1/20 0.38
IDE P14735 1/20 0.38
DUSP3 P51452 1/20 0.38
CCR6 P51684 1/20 0.38
BLM P54132 1/20 0.38
ATIC P31939 3/20 0.37
APEX1 P27695 1/20 0.37
CTRB1 P17538 1/20 0.36
SUMO2 P61956 2/20 0.36
SUMO1 P63165 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 1/20 0.34
ENPP2 Q13822 1/20 0.34
THRB P10828 2/20 0.33

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
SCHEMBL3423111 0.85 CYP1A2 (0.47) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL3425394 0.85 CYP1A2 (0.52) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL3426922 0.84 CYP1A2 (0.46) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL3426212 0.79 CA1 (0.37) CYP1A2TTRPOLBSUMO2SUMO1
SCHEMBL13273022 0.76 CYP1A2 (0.43) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL14431272 0.73 CYP1A2 (0.52) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL3423466 0.73 P2RX5 (0.38) MEN1KMT2APOLBAPEX1ENPP2
SCHEMBL3423608 0.72 CYP1A2 (0.47) CYP1A2TTRMEN1KMT2ANSD2
SCHEMBL3425776 0.72 CYP1A2 (0.50) CYP1A2MEN1KMT2ANSD2POLB
SCHEMBL2774792 0.70 TTR (0.60) CYP1A2TTRMEN1KMT2ANSD2

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