SCHEMBL5564838

SCHEMBL5564838

O=C(O)CCNN=Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TBXA2R P21731 1/20 0.38
FABP4 P15090 4/20 0.38
CDC25A P30304 2/20 0.37
CDC25B P30305 2/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APEX1 P27695 1/20 0.36
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TTR P02766 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL3426212 0.85 CA1 (0.37) FABP4CDC25APOLBTTRCCNA2
SCHEMBL3425776 0.84 CYP1A2 (0.50) ALDH1A1TBXA2RFABP4THRBAPEX1
SCHEMBL3426771 0.84 CYP1A2 (0.35) ALDH1A1FABP4CDC25ATHRBMEN1
SCHEMBL3425750 0.82 P2RX3 (0.40) ALDH1A1TBXA2RFABP4LMNAAPEX1
SCHEMBL3423105 0.79 CYP1A2 (0.36) ALDH1A1FABP4THRBMEN1NSD2
SCHEMBL11800690 0.75 CYP1A2 (0.40) ALDH1A1FABP4THRBMEN1NSD2
SCHEMBL3424244 0.75 MAPT (0.50) ALDH1A1LMNAL3MBTL1MEN1NSD2
SCHEMBL3790419 0.74 CYP1A2 (0.50) ALDH1A1FABP4LMNATHRBMEN1
SCHEMBL3425849 0.74 POLB (0.51) ALDH1A1TBXA2RLMNAMEN1POLB
SCHEMBL28175947 0.73 SUMO2 (0.39) ALDH1A1FABP4THRBMEN1NSD2

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
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