SCHEMBL14282988

SCHEMBL14282988

Nc1nc(I)cc(I)c1I

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 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
SCHEMBL2725516 0.65 — —
SCHEMBL17388839 0.65 — —
SCHEMBL3739331 0.61 TPMT (0.39) —
SCHEMBL17262658 0.61 CA1 (0.36) —
SCHEMBL25086836 0.59 — —
SCHEMBL17298251 0.59 — —
SCHEMBL30488013 0.59 — —
SCHEMBL11985897 0.58 — —
SCHEMBL17299129 0.58 NQO1 (0.33) NQO1
SCHEMBL31330045 0.57 KDM4E (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 — — US disclosed
US-8352193-B2 Methods for deriving a cumulative ranking TARGET DISCOVERY, INC. (US) 2013-01-08 — — US disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 — — US disclosed
US-7316931-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY, INC. (US) 2008-01-08 — — US disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 — — US disclosed
US-20070154900-A1 Methods for determining protein and peptide terminal sequences TARGET DISCOVERY, INC (US) 2007-07-05 — — US disclosed
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