SCHEMBL7522280

SCHEMBL7522280

O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.84
TTR P02766 1/20 0.84
CCNA2 P20248 1/20 0.84
CDK2 P24941 1/20 0.84
MAPK14 Q16539 1/20 0.84
NR4A1 P22736 1/20 0.82
SNCA P37840 3/20 0.58
CHAT P28329 1/20 0.58
FABP1 P07148 1/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NSD2 O96028 2/20 0.45
CASP6 P55212 2/20 0.45

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
SCHEMBL29381891 0.92 FABP4 (1.00) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL43158 0.92 FABP4 (1.00) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL6654772 0.90 FABP4 (0.97) FABP4TTRCCNA2CDK2MAPK14
Ammonia Solution, Strong SCHEMBL592280 0.90 NR4A1 (1.00) FABP4TTRCCNA2CDK2MAPK14
Ammonia Solution, Strong SCHEMBL592279 0.90 NR4A1 (1.00) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL1786500 0.90 FABP4 (0.97) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL10353163 0.90 FABP4 (0.97) FABP4TTRCCNA2CDK2MAPK14
Ammonia Solution, Strong SCHEMBL31666356 0.89 NR4A1 (0.97) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL1357870 0.86 CDK2 (0.62) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL29837420 0.84 CDK2 (0.84) FABP4TTRCCNA2CDK2MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729945-B1 PHOTOPOLYMERIZABLE COMPOSITION CONTAINING SQUARYLIUM COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-02-27 EP disclosed
US-5681685-A HIGH SENSITIVITY TO VISIBLE LIGHT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-28 US disclosed
EP-0729945-A1 PHOTOPOLYMERIZABLE COMPOSITION CONTAINING SQUARYLIUM COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-09-04 EP disclosed