SCHEMBL8301246

SCHEMBL8301246

COc1ccc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE2A O00408 3/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
RIOK2 Q9BVS4 5/20 0.38
PSD A5PKW4 1/20 0.38
MAT2A P31153 1/20 0.38
MAPT P10636 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
KDM1A O60341 1/20 0.36
PTGES O14684 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL30884573 0.69 RIOK2 (0.44) RIOK2MKNK1MKNK2PTGES
SCHEMBL9359135 0.67 GRIK1 (0.50) MAPT
SCHEMBL8908156 0.66 BCAT2 (0.43) MAPT
SCHEMBL31174412 0.65 CYP2A6 (0.68) MKNK1MKNK2
SCHEMBL3754419 0.65 CYP2A6 (0.68) MKNK1MKNK2
SCHEMBL8305252 0.64 ATM (0.42) PTGS1PTGS2GRIN1GRIN2BRIOK2
SCHEMBL30404451 0.64 ATM (0.56)
SCHEMBL9134640 0.63 MAT2A (0.41) PDE2ARIOK2MAT2AMAPTMKNK1
SCHEMBL25184403 0.63 TSHR (0.47) PTGS1PTGS2MAPTMKNK1MKNK2
SCHEMBL8993633 0.62 MEN1 (0.39) PSDMAPT

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-0946544-A1 HETEROCYCLYLURACIL BAYER AG (DE) 1999-10-06 EP disclosed
WO-1998027082-A1 HETEROCYCLYLURACIL BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed