SCHEMBL4581975

SCHEMBL4581975

CCn1c2ccc(S(=O)(=O)O)cc2c(=O)c2cc3c(cc21)c(=O)c1cc(S(=O)(=O)ON2C(=O)CCC2=O)ccc1n3CCCCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
APEX1 P27695 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
PARL Q9H300 2/20 0.34
PTGER4 P35408 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL1401219 0.89 FABP4 (0.45) PTGDR2APEX1FABP4FABP5KDM4E
SCHEMBL1415563 0.88 PTGDR2 (0.36) PTGDR2APEX1FABP4FABP5KDM4E
SCHEMBL951235 0.87 MEN1 (0.35) APEX1KDM4EMEN1USP2KMT2A
SCHEMBL357129 0.86 FABP4 (0.51) PTGDR2FABP4FABP5PARL
SCHEMBL14266803 0.79 KDM4E (0.31) KDM4EMEN1USP2KMT2APTGER4
SCHEMBL13036113 0.78 SIRT2 (0.35) APEX1KDM4EMEN1USP2KMT2A
SCHEMBL5665761 0.77 FABP4 (0.60) APEX1FABP4FABP5
SCHEMBL355757 0.77 FABP4 (0.60) APEX1FABP4FABP5
SCHEMBL354579 0.76 FABP4 (0.46) PTGDR2APEX1FABP4FABP5MEN1
SCHEMBL1415509 0.76 APEX1 (0.42) PTGDR2APEX1FABP4FABP5KDM4E

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
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 US claimed