SCHEMBL4755291

SCHEMBL4755291

NC(=O)CNc1cccc2c1CC=CC2=S(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4573751 0.65 RXRA (0.57) KDM4EALDH1A1
SCHEMBL9054416 0.65 MAPT (0.36) KDM4EALDH1A1
SCHEMBL16269089 0.61 CD44 (0.49) KDM4EALDH1A1
SCHEMBL16269637 0.61 PNMT (0.45)
SCHEMBL6226347 0.61 KDM1A (0.49) KDM4EALDH1A1HPGD
SCHEMBL6035252 0.61 MAOA (0.34)
SCHEMBL1531500 0.60 KDM4E (0.62) KDM4EALDH1A1HPGD
SCHEMBL4572861 0.60 MAPT (0.55) KDM4EALDH1A1HPGD
SCHEMBL14698798 0.60 AGTR1 (0.62) KDM4EALDH1A1HPGD
Water SCHEMBL9506362 0.60 KDM1A (0.47) KDM4EALDH1A1HPGD

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
WO-2008156676-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-12-24 WO claimed
WO-2008156676-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-12-24 WO disclosed