SCHEMBL14760221

SCHEMBL14760221

CCOC(=O)c1c(S(C)(=O)=O)n(C2CC2)c2c(OC)c(Br)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 2/20 0.44
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 4/20 0.36
TSHR P16473 3/20 0.36
GRK6 P43250 1/20 0.36
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
APAF1 O14727 1/20 0.34
SMAD3 P84022 1/20 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
SCHEMBL2675015 0.89 GRK6 (0.36) KMT2AMEN1MAPTALOX15USP2
SCHEMBL589957 0.85 MEN1 (0.47) KMT2AMEN1MAPTALOX15USP2
SCHEMBL591459 0.83 MEN1 (0.45) KMT2AMEN1MAPTALOX15USP2
SCHEMBL589273 0.82 MEN1 (0.44) KMT2AMEN1MAPTALOX15USP2
SCHEMBL729612 0.82 ADRB2 (0.39) ALOX15ALDH1A1GRK6KDM4E
SCHEMBL15077883 0.76 KCNH2 (0.45) ALOX15NPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL7576971 0.76 KCNH2 (0.37) KMT2AMEN1MAPTALOX15USP2
SCHEMBL729608 0.75 KCNH2 (0.45) ALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL729609 0.75 KCNH2 (0.45) ALOX15ALDH1A1L3MBTL1KDM4E
SCHEMBL7496082 0.75 KCNH2 (0.48) KMT2AMEN1MAPTALOX15USP2

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-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 EP disclosed