SCHEMBL4069869

SCHEMBL4069869

Cn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)nc1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.43
STING1 Q86WV6 1/20 0.41
AURKA O14965 2/20 0.40
MAP4K4 O95819 2/20 0.40
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40
CSF1R P07333 2/20 0.40
RET P07949 2/20 0.40
IGF1R P08069 2/20 0.40
MET P08581 2/20 0.40
FGFR1 P11362 2/20 0.40

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
SCHEMBL2570394 0.86 EPHX2 (0.58) ALDH1A1IGF1REPHX2RAB9ANPC1
SCHEMBL2567422 0.85 MAPT (0.40) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1594762 0.84 MAPT (0.46) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL14785039 0.84 MAPT (0.47) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4057959 0.82 EPHX2 (0.51) MAPTKMT2AMEN1HTTNTRK1
SCHEMBL2569997 0.78 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2571142 0.75 EPHX2 (0.54) MAPTKMT2AALDH1A1IGF1REPHX2
SCHEMBL4118526 0.74 MAPT (0.66) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1595262 0.74 MAPT (0.42) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2568013 0.73 EPHX2 (0.52) MAPTSMN1; SMN2LMNAALDH1A1EPHX2

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-2755964-B1 SULFONIC ACID SALTS OF HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS ANTI INFECTIVE CURES GMBH (DE) 2016-06-22 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 WO disclosed