SCHEMBL18769044

SCHEMBL18769044

CNNc1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.60
▸ FABP4 P15090 1/20 0.60
▸ CCNA2 P20248 1/20 0.60
▸ CDK2 P24941 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ NR4A1 P22736 1/20 0.59
▸ CD40 P25942 3/20 0.46
▸ CD40LG P29965 3/20 0.46
▸ TSHR P16473 1/20 0.40
▸ SNCA P37840 2/20 0.40
▸ CHAT P28329 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ FABP1 P07148 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34

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
SCHEMBL23178061 0.86 TTR (0.64) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL18768617 0.83 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27615953 0.80 CA1 (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6911279 0.79 TTR (0.64) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11759224 0.79 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27459951 0.79 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1742117 0.78 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21725437 0.77 TTR (0.60) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6214963 0.76 TTR (0.68) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL26885009 0.76 TTR (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017066672-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS UWM RESEARCH FOUNDATION, INC. (US) 2017-04-20 — — WO disclosed
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