SCHEMBL8195033

SCHEMBL8195033

N#Cc1cc(F)c(-n2ncc(=O)[nH]c2=O)cc1Oc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 8/20 0.46
BCAT1 P54687 8/20 0.46
THRB P10828 7/20 0.35
THRA P10827 2/20 0.35
CYP19A1 P11511 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
BTK Q06187 2/20 0.34
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL8208856 0.84 BCAT2 (0.42) BCAT2BCAT1CYP19A1FNTAFNTB
SCHEMBL6174302 0.76 MEN1 (0.39) BCAT2BCAT1THRB
SCHEMBL6244770 0.71 BCAT1 (0.53) BCAT2BCAT1
SCHEMBL8218025 0.69 BCAT2 (0.39) BCAT2BCAT1CYP19A1FNTAFNTB
SCHEMBL8195022 0.67 BCAT2 (0.48) BCAT2BCAT1
SCHEMBL11096810 0.67 AR (0.49) CYP19A1FNTAFNTBPGGT1BSLC22A12
SCHEMBL6175493 0.66 PGR (0.41) SLC22A12
SCHEMBL6696068 0.65 BCAT1 (0.73) BCAT2BCAT1
SCHEMBL7531189 0.65 BCAT1 (0.59) BCAT2BCAT1FNTAFNTBPGGT1B
SCHEMBL7745251 0.64 AR (0.40) CYP19A1FNTAFNTBPGGT1B

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
WO-2000022684-A9 COMPOSITE SOLID POLYMER ELECTROLYTE MEMBRANES FOSTER MILLER INC (US) 2000-12-14 WO disclosed
WO-2000043375-A2 SUBSTITUTED ARYL HETEROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-27 WO disclosed