SCHEMBL5745831

SCHEMBL5745831

C=CCONC(=O)CN1C(=O)C(Cc2ccc(OC)cc2)Sc2cc(C(=O)NC(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.36
MCL1 Q07820 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 2/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRC P12931 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7447559 1.00 GAA (0.44) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5745463 0.90 GAA (0.53) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5747286 0.90 GAA (0.47) GAAALDH1A1HTTPPARGMCL1
SCHEMBL5745464 0.88 GAA (0.41) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5747402 0.87 GAA (0.44) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5796641 0.81 GAA (0.41) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5746105 0.77 PPARG (0.49) GAAALDH1A1SMN1; SMN2PPARGMCL1
SCHEMBL5745194 0.75 MCL1 (0.50) GAAALDH1A1HTTPPARGMCL1
SCHEMBL5747698 0.74 PPARG (0.45) GAAALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL5745179 0.73 THRB (0.47) GAAALDH1A1HTTPPARGMCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed