SCHEMBL6974833

SCHEMBL6974833

COc1cccc2sc(C(=O)CC(=O)C(F)(F)F)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 4/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 1/20 0.48
DUSP3 P51452 2/20 0.47
CHRM4 P08173 1/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 6/20 0.46
NPC1 O15118 5/20 0.46

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
SCHEMBL6979685 0.83 GAA (0.47) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL15349556 0.80 DYRK1A (0.56) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL1040735 0.78 DYRK1A (0.63) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL2762212 0.78 MEN1 (0.61) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL1043301 0.77 DYRK1A (0.61) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL15349917 0.77 DYRK1A (0.65) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL6979211 0.76 RAB9A (0.58) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1038566 0.76 TDP1 (0.62) DYRK1AMEN1KMT2ALMNAMAPT
SCHEMBL6979367 0.74 MAPT (0.57) DYRK1AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1041605 0.73 DYRK1A (0.57) DYRK1AMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006114-B1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM GRELAN PHARMACEUTICAL CO (JP) 2003-01-22 EP disclosed
US-6136831-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS GRELAN PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-1006114-A1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM Grelan Pharmaceutical Co., Ltd. (JP) 2000-06-07 EP disclosed