SCHEMBL8040342

SCHEMBL8040342

CC(NC(=O)CI)Nc1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.48
FABP4 P15090 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK14 Q16539 1/20 0.48
NR4A1 P22736 1/20 0.47
CD40 P25942 3/20 0.41
CD40LG P29965 3/20 0.41
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SNCA P37840 2/20 0.33
ANPEP P15144 1/20 0.32
CHAT P28329 1/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL134373 0.84 CYP1A2 (0.46) TTRCASP6CYP1A2ALDH1A1SNCA
SCHEMBL9627393 0.80 CASP6 (0.60) CASP6TDP1CYP1A2KDM4EALDH1A1
Sulfuric Acid SCHEMBL6255048 0.80 ANPEP (0.46) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL3036841 0.76 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3931602 0.76 ANPEP (0.50) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL26885009 0.74 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8928010 0.74 ANPEP (0.36) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL3765915 0.74 ANPEP (0.36) CYP1A2KDM4EALDH1A1MAPTHPGD
SCHEMBL11759224 0.74 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL23178061 0.72 TTR (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 WO claimed
EP-1059531-A1 Labelling of peptides and proteins Nordheim, Alfred, Prof. Dr. (DE) 2000-12-13 EP claimed
US-4797480-A New biologically active fluorescent cyclic nucleotides UNIVERSITA DEGLI STUDI DI PARMA (IT) 1989-01-10 US disclosed