SCHEMBL6074920

SCHEMBL6074920

COc1ccc(-c2cnc(N)cn2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 18/20 0.50
▸ FEN1 P39748 17/20 0.50
▸ TLR8 Q9NR97 1/20 0.44

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
SCHEMBL6075271 0.84 ALOX5AP (0.53) ALOX5APFEN1
SCHEMBL15256072 0.83 NPC1 (0.55) —
SCHEMBL5550517 0.81 ALOX5AP (0.53) ALOX5APFEN1
SCHEMBL11376072 0.80 FEN1 (0.51) ALOX5APFEN1
SCHEMBL6074829 0.80 ALOX5AP (0.49) ALOX5APFEN1
SCHEMBL23667869 0.78 CCR1 (0.48) TLR8
SCHEMBL15915844 0.78 FEN1 (0.58) ALOX5APFEN1
SCHEMBL4477259 0.78 ALOX5AP (0.49) ALOX5APFEN1
SCHEMBL15750875 0.76 NNMT (0.47) ALOX5APFEN1
SCHEMBL6074984 0.76 ALOX5AP (0.48) ALOX5APFEN1

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-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 — — US disclosed
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