SCHEMBL8180959

SCHEMBL8180959

C#CCNc1cccc2c1OC(F)(F)O2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
BACE1 P56817 2/20 0.35
ATR Q13535 1/20 0.34
IDO1 P14902 1/20 0.33
SRC P12931 1/20 0.33
CXCR2 P25025 2/20 0.33
ADORA2A P29274 1/20 0.33
MPO P05164 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL10077617 0.80 ATR (0.38) ALOX15BACE1ATRIDO1SRC
SCHEMBL8171638 0.77 BACE1 (0.38) ALOX15BACE1ATRIDO1SRC
SCHEMBL2244599 0.74 ATR (0.40) ALOX15BACE1ATRIDO1SRC
SCHEMBL5468578 0.73 ATR (0.38) ALOX15BACE1ATRIDO1SRC
SCHEMBL2296526 0.73 ATR (0.36) ALOX15BACE1ATRSRCCXCR2
SCHEMBL2662890 0.70 CA2 (0.38) IDO1ADORA2AMPO
SCHEMBL5468582 0.70 ATR (0.38) ALOX15BACE1ATRIDO1SRC
SCHEMBL14417244 0.69 IDO1 (0.34) ALOX15IDO1MPO
SCHEMBL2999349 0.69 ADORA3 (0.46) ADORA2AMAOB
SCHEMBL19139129 0.68 IDO1 (0.31) IDO1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165943-A Thiazolimine derivatives BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed