SCHEMBL7716699

SCHEMBL7716699

COC(=O)c1ccc2c(c1)CC(=O)N2.O=C1Cc2cc(I)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMYD3 Q9H7B4 12/20 0.48
HDAC3 O15379 1/20 0.47
EPHX2 P34913 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
MDH2 P40926 1/20 0.46
GSK3B P49841 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
TDP2 O95551 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
SCHEMBL29779535 0.92 CRBN (0.58) GAACRBNALDH1A1LMNASMYD3
SCHEMBL688478 0.92 CRBN (0.58) GAACRBNALDH1A1LMNASMYD3
SCHEMBL1459491 0.81 TDP2 (0.62) GAAEPHX2CCNB2CDK1CCNB1
SCHEMBL1359221 0.80 CRBN (0.59) GAACRBNALDH1A1LMNASMYD3
SCHEMBL29374811 0.80 CRBN (0.59) GAACRBNALDH1A1LMNASMYD3
SCHEMBL6646602 0.79 CRBN (0.76) CRBNALDH1A1LMNASMYD3HDAC3
SCHEMBL16180053 0.78 SMYD3 (0.52) GAACRBNSMYD3HDAC3EPHX2
SCHEMBL18189494 0.78 GRIA1 (0.60) GAACRBNALDH1A1LMNASMYD3
Formic Acid SCHEMBL30925701 0.77 TDP2 (0.54) GAASMYD3HDAC3EPHX2CCNB2
SCHEMBL4405727 0.77 CRBN (0.65) GAACRBNSMYD3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233943-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS Sugen, Inc. (US) 2002-08-28 EP disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed