SCHEMBL1554500

SCHEMBL1554500

COc1ccc(C(=O)O)cc1NC(=N)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LTB4R Q15722 5/20 0.52
HDAC1 Q13547 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL4846737 0.92 HDAC1 (0.48) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL1553849 0.79 ALDH1A1 (0.50) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL1554573 0.78 NPSR1 (0.47) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL7359038 0.77 LTB4R (0.68) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL7434110 0.76 LTB4R (0.53) POLBMEN1KMT2ALTB4RHDAC1
Hydrochloric Acid SCHEMBL1579945 0.74 LTB4R (0.58) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL1553818 0.74 KMT2A (0.51) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL1553934 0.74 ALDH1A1 (0.57) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL7433938 0.73 PPARA (0.50) POLBMEN1KMT2ALTB4RHDAC1
SCHEMBL13561126 0.73 HDAC1 (0.79) MEN1KMT2ALTB4RHDAC1HDAC8

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-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed