SCHEMBL8305252

SCHEMBL8305252

COc1ccc(-n2c(C(F)(F)F)cc(=O)[nH]c2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OXTR P30559 5/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
RIOK2 Q9BVS4 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
AVPR1A P37288 1/20 0.36
MTOR P42345 3/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
CSNK2A2 P19784 1/20 0.36
FECH P22830 1/20 0.36
PIK3CB P42338 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
SCHEMBL8574499 0.81 POLB (0.36) ATMCHRNB2CHRNA4
SCHEMBL7897890 0.80 BCAT1 (0.49) MEN1KMT2AOXTRGRIN1GRIN2B
SCHEMBL7896541 0.78 MTOR (0.40) PTGS1PTGS2MEN1KMT2AOXTR
SCHEMBL7833292 0.72 NOTUM (0.48) ATMMEN1KMT2AGSK3AMAPT
SCHEMBL30615552 0.70 MEN1 (0.47) MEN1KMT2AOXTRRIOK2AVPR1A
SCHEMBL10143726 0.70 MEN1 (0.47) MEN1KMT2AOXTRRIOK2AVPR1A
SCHEMBL23565505 0.69 CYP2C9 (0.58) MEN1KMT2AOXTRCHRNB2CHRNA4
SCHEMBL21463368 0.68 DAO (0.46) MEN1KMT2AOXTRCHRNB2CHRNA4
SCHEMBL30615678 0.68 DAO (0.46) MEN1KMT2AOXTRRIOK2AVPR1A
SCHEMBL30615377 0.68 DAO (0.46) MEN1KMT2AOXTRCHRNB2CHRNA4

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