SCHEMBL6977989

SCHEMBL6977989

Cc1cc(C=O)cc(OCC(=O)Nc2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
STAT3 P40763 3/20 0.62
NOD2 Q9HC29 2/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 2/20 0.62
GALR3 O60755 2/20 0.60
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL6968781 0.78 F2 (0.62)
SCHEMBL27333792 0.77 LMNA (0.58) LMNASTAT3NOD2POLBMAPT
SCHEMBL7334269 0.75 LMNA (0.59) LMNASTAT3NOD2POLBMAPT
SCHEMBL2559333 0.75 HTT (0.60) LMNAMAPTTSHRMAPK1ALDH1A1
SCHEMBL2559946 0.75 MAPK1 (0.59) LMNAPOLBMAPTMAPK1ALDH1A1
SCHEMBL5641073 0.74 POLB (0.65) LMNASTAT3NOD2POLBMAPT
SCHEMBL8542772 0.74 F2 (0.68) LMNASTAT3NOD2POLBMAPT
SCHEMBL6966460 0.74 HPGD (0.46) LMNAPOLBALOX15ALDH1A1HPGD
SCHEMBL2558204 0.74 KMT2A (0.72) LMNAPOLBMAPTGALR3TSHR
SCHEMBL7327289 0.74 LMNA (0.56) LMNASTAT3NOD2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed