SCHEMBL3657602

SCHEMBL3657602

O=S(=O)(O)c1ccccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
NR4A1 P22736 1/20 0.40
CHAT P28329 5/20 0.39
SNCA P37840 1/20 0.39
MAPT P10636 3/20 0.38
APEX1 P27695 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
CASP6 P55212 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8626750 0.89 KCNH3 (0.33) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL7632003 0.89 CA12 (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL7738661 0.87 CA12 (0.51) MAPTGAAPOLBCA12CA1
SCHEMBL29184441 0.87 CA1 (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8001599 0.87 CA1 (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28555514 0.87 KCNH3 (0.34) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL14759752 0.85 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL4251912 0.83 PLAU (0.31) CHATSNCA
SCHEMBL16240783 0.83 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL16240780 0.83 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14

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-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed