SCHEMBL5680858

SCHEMBL5680858

O=S(=O)(Cl)c1ccccc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.51
TTR P02766 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK14 Q16539 1/20 0.51
NR4A1 P22736 1/20 0.50
CHAT P28329 1/20 0.47
SNCA P37840 1/20 0.47
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 7/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 5/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RECQL P46063 2/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
APOBEC3A P31941 1/20 0.47
CASP6 P55212 1/20 0.47

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
SCHEMBL11215465 0.83 FABP4 (0.72) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL20766620 0.80 CA2 (0.62) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL28032037 0.80 ALK (0.57) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL6264332 0.80 FABP4 (0.70) FABP4TTRCCNA2CDK2MAPK14
Ammonia Solution, Strong SCHEMBL1556275 0.78 NR4A1 (0.71) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL14632174 0.76 FABP4 (0.47) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL14215794 0.76 FABP4 (0.47) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL4748579 0.74 CA1 (0.45) ALDH1A1TDP1HSD17B10
SCHEMBL27345005 0.73 FABP4 (0.49) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL444976 0.72 MAPT (0.70) FABP4SNCAALDH1A1TDP1MAPT

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
EP-0932600-B1 SULFONAMIDE SUBSTITUTED ASPARTIC ACID INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS WARNER LAMBERT CO (US) 2006-02-08 EP disclosed