SCHEMBL7645797

SCHEMBL7645797

CC(C)COc1ccc(F)cc1-c1ccc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
BRD4 O60885 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
JAK2 O60674 2/20 0.37
THRB P10828 1/20 0.36
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PLG P00747 2/20 0.36
PLAU P00749 2/20 0.36
PLAT P00750 2/20 0.36
HTT P42858 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
LMNA P02545 1/20 0.35
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 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
SCHEMBL8069138 0.86 HTT (0.44) XDHBRD4SIRT2F2F10
SCHEMBL7646403 0.85 PDE5A (0.41) BRD4CCNT1CDK9LMNASCN8A
SCHEMBL7408134 0.81 PARP10 (0.44) BRD4SCN8ASCN10A
SCHEMBL7645245 0.79 XDH (0.47) XDHALDH1A1GAA
SCHEMBL8069141 0.74 GAA (0.51) XDHSIRT2HTTALDH1A1GAA
SCHEMBL7646422 0.72 GUSB (0.44) BRD4LMNAALDH1A1
SCHEMBL7648303 0.71 KDM4E (0.43) BRD4HTTLMNAALDH1A1GAA
SCHEMBL149188 0.71 KMT2A (0.48) BRD4HTTLMNAALDH1A1
SCHEMBL11624915 0.70 PDE5A (0.46) XDHSIRT2F2F10PLG
SCHEMBL7645372 0.70 KMT2A (0.53) BRD4HTTLMNAALDH1A1

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-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP claimed
US-6479520-B1 REGULATING APOPTOSIS IN HUMAN CELLS WITH COMPOUNDS SUCH AS: 3-CYANO-6-(2-METHOXY-4-METHYLTHIOIPHENYL)-2(1H)-PYRIDINONE CELL PATHWAYS, INC. 2002-11-12 US disclosed
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed