SCHEMBL28032037

SCHEMBL28032037

CS(=O)(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.57
BCAT2 O15382 1/20 0.54
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
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
PTK2 Q05397 2/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
RECQL P46063 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NSD2 O96028 1/20 0.47
POLB P06746 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
SCHEMBL30228891 0.85 ALK (0.49) ALKBCAT2JAK2JAK3PTK2
SCHEMBL6264332 0.80 FABP4 (0.70) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL20766620 0.80 CA2 (0.62) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL5680858 0.80 FABP4 (0.51) ALKFABP4TTRCCNA2CDK2
Ammonia Solution, Strong SCHEMBL1556275 0.78 NR4A1 (0.71) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL1855312 0.77 JAK2 (0.49) ALKBCAT2JAK2JAK3PTK2
SCHEMBL2634765 0.77 HTR6 (0.62) ALKBCAT2JAK2JAK3PTK2
SCHEMBL27792302 0.76 PTGS1 (0.68) FABP4PTK2MAPTKDM4EGAA
SCHEMBL14215794 0.76 FABP4 (0.47) ALKFABP4TTRCCNA2CDK2
SCHEMBL14632174 0.76 FABP4 (0.47) ALKBCAT2FABP4TTRCCNA2

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
CN-105026403-A Tetracyclic bromodomain inhibitors ABBVIE INC 2015-11-04 CN disclosed