SCHEMBL9064987

SCHEMBL9064987

NNC(=O)c1ccc(N)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.59
BLM P54132 2/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 2/20 0.59
GAA P10253 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NSD2 O96028 1/20 0.59
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
APEX1 P27695 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
CASP6 P55212 1/20 0.59
CYP3A4 P08684 3/20 0.55
GFER P55789 2/20 0.55
MPO P05164 2/20 0.55

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
SCHEMBL5924546 0.84 HDAC6 (0.68) KDM4ECYP3A4HDAC6HDAC1ALOX15
SCHEMBL31442962 0.84 ALDH1A1 (0.58) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL2648559 0.84 ALDH1A1 (0.58) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL2664433 0.83 HDAC6 (0.67) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL31472702 0.83 HDAC6 (0.67) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL29803197 0.83 MPO (0.54) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL1252657 0.83 MPO (0.54) KDM4EALDH1A1MAPTBLMLMNA
Hydrochloric Acid SCHEMBL5924212 0.82 ALDH1A1 (0.56) KDM4EALDH1A1MAPTBLMLMNA
Hydrochloric Acid SCHEMBL9064645 0.82 ALDH1A1 (0.56) KDM4EALDH1A1MAPTBLMLMNA
SCHEMBL13947863 0.82 PLAU (0.50) KDM4EMAPTPOLBGAAHTT

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
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 US disclosed