SCHEMBL3425776

SCHEMBL3425776

O=C(O)CCNN=Nc1ccc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CTRB1 P17538 1/20 0.49
FABP4 P15090 4/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 2/20 0.39
POLB P06746 1/20 0.39
IDE P14735 1/20 0.39
DUSP3 P51452 1/20 0.39
CCR6 P51684 1/20 0.39
BLM P54132 1/20 0.39
APEX1 P27695 1/20 0.38
SUMO2 P61956 2/20 0.38
SUMO1 P63165 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP2 Q9HC62 2/20 0.38
SENP1 Q9P0U3 2/20 0.38
ATIC P31939 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
SCHEMBL3425394 0.87 CYP1A2 (0.52) CYP1A2CTRB1FABP4MEN1KMT2A
SCHEMBL3427611 0.85 CYP1A2 (0.53) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL5564838 0.84 ALDH1A1 (0.38) FABP4MEN1KMT2ATHRBNSD2
SCHEMBL3423642 0.81 CYP1A2 (0.55) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3425750 0.78 P2RX3 (0.40) FABP4TDP1APEX1TBXA2RALDH1A1
SCHEMBL3425248 0.72 CYP1A2 (0.45) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3426922 0.71 CYP1A2 (0.46) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3424244 0.71 MAPT (0.50) MEN1KMT2ATDP1NSD2POLB
SCHEMBL28551711 0.70 CYP1A2 (0.70) CYP1A2CTRB1MEN1KMT2ATHRB
SCHEMBL3426212 0.70 CA1 (0.37) CYP1A2FABP4POLBSUMO2SUMO1

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