SCHEMBL6270874

SCHEMBL6270874

O=S(=O)(O)c1cccc2nc3ccccc3c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.44
SNCA P37840 1/20 0.44
TTR P02766 2/20 0.44
FABP4 P15090 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK14 Q16539 1/20 0.44
NR4A1 P22736 1/20 0.43
CYP1A2 P05177 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2D6 P10635 2/20 0.41
ATIC P31939 1/20 0.41
ERN1 O75460 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL4988164 0.83 KDM4E (0.52) CHATSNCATTRFABP4CCNA2
SCHEMBL6265734 0.82 MEN1 (0.49) CYP1A2MEN1KMT2ARXFP1CYP2D6
SCHEMBL10485225 0.78 CYP1A2 (0.51) CHATSNCATTRFABP4CCNA2
SCHEMBL17603281 0.76 CYP1A2 (0.50) CHATSNCATTRFABP4CCNA2
SCHEMBL19472017 0.75 CYP1A2 (0.49) SNCACYP1A2MEN1KMT2ACASP1
SCHEMBL30272856 0.73 ALDH1A1 (0.51) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL329215 0.73 ALDH1A1 (0.51) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL329917 0.73 KDM4E (0.49) CHATSNCATTRFABP4CCNA2
Acridone SCHEMBL243819 0.72 KDM4E (0.56) TTRCYP1A2MEN1KMT2AERN1
SCHEMBL1534731 0.71 CYP1A2 (0.45) CHATSNCATTRFABP4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005103683-A1 QUANTITATIVE METHOD OF DETERMINING BERYLLIUM OR A COMPOUND THEREOF IN A SAMPLE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-03 WO disclosed