SCHEMBL6544663

SCHEMBL6544663

CC(Cl)(C(=O)O)C(NC(N)=O)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 4/20 0.38
PPARA Q07869 4/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 5/20 0.35
KCNN4 O15554 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL1134749 0.68 PPARA (0.48) KMT2AMAPTCYP1A2PPARAMEN1
SCHEMBL8380156 0.68 CYP1A2 (0.48) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2432243 0.68 MAPT (0.55) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL28376940 0.68 MAPT (0.55) KMT2AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL27757832 0.67 MAPT (0.55) KMT2AMAPTCYP1A2PPARACYP3A4
SCHEMBL3745846 0.67 CYP1A2 (0.38) KMT2AMAPTCYP1A2MEN1CYP3A4
SCHEMBL5691818 0.67 PPARG (0.61) KMT2AMAPTCYP1A2PPARAMEN1
SCHEMBL5309690 0.66 PPARG (0.49) KMT2AMAPTPPARAMEN1PPARG
SCHEMBL9736278 0.65 MAPT (0.47) KMT2AMAPTCYP1A2PPARAMEN1
SCHEMBL27930895 0.65 PPARA (0.46) KMT2AMAPTCYP1A2PPARAMEN1

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-1372627-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2004-01-02 EP disclosed
WO-2002076443-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2002-10-03 WO disclosed