SCHEMBL12424967

SCHEMBL12424967

CN(C)c1ccc(C2=C3C(=O)NC(c4ccc(N(C)C)c(I)c4)=C3C(=O)N2)cc1I

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.31
MAPT P10636 2/20 0.30
APP P05067 1/20 0.30
NOTUM Q6P988 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12424883 0.81 PTGS2 (0.42) GSK3BALDH1A1
SCHEMBL22625734 0.74 GABRA1 (0.32) NOTUM
SCHEMBL5892113 0.72 ALDH1A1 (0.44) GSK3BMAPTAPPNOTUMALDH1A1
SCHEMBL12425011 0.71 PTGS2 (0.40) ALDH1A1
SCHEMBL12424968 0.70 TGM2 (0.36) GSK3B
SCHEMBL12424900 0.70 EGFR (0.37) GSK3BMAPTALDH1A1
SCHEMBL12424957 0.68 METAP2 (0.41) GSK3B
SCHEMBL12424975 0.68 KDR (0.38) GSK3BMAPT
SCHEMBL12424804 0.68 METAP1 (0.40) GSK3BMAPTAPPNOTUMALDH1A1
SCHEMBL12425003 0.68 PTGS2 (0.42)

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
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed