SCHEMBL9816288

SCHEMBL9816288

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)NC(CC(N)=O)C(=O)O)c1I

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.49
ICAM1 P05362 2/20 0.49
ITGAL P20701 2/20 0.49
LMNA P02545 3/20 0.44
FOLH1 Q04609 1/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ECE1 P42892 2/20 0.39
PYGL P06737 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL9816279 1.00 ITGB2 (0.49) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL11694141 0.94 LMNA (0.47) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL11692579 0.92 ITGB2 (0.45) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL11692575 0.92 ITGB2 (0.45) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL10879046 0.89 LMNA (0.46) ITGB2ICAM1ITGALLMNACA2
SCHEMBL9816278 0.89 LMNA (0.46) ITGB2ICAM1ITGALLMNACA2
SCHEMBL11012485 0.87 CA2 (0.43) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL9816321 0.85 LMNA (0.40) ITGB2ICAM1ITGALLMNAFOLH1
SCHEMBL9816330 0.85 SMN1; SMN2 (0.49) LMNACA2CA1SMN1; SMN2ALDH1A1
SCHEMBL9816296 0.82 ALDH1A1 (0.53) LMNAFOLH1CA2CA1SMN1; SMN2

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
EP-0153992-B1 WATER SOLUBLE DERIVATIVES OF 3,5-DIACETO AMIDO-2,4,6-TRIIODOBENZOIC ACID AND PROCESS FOR THEIR PREPARATION AND USE Dr. Franz Köhler Chemie GmbH (DE) 1991-10-16 EP disclosed
EP-0153992-A2 Water soluble derivatives of 3,5-diaceto amido-2,4,6-triiodobenzoic acid and process for their preparation and use Dr. Franz Köhler Chemie GmbH (DE) 1985-09-11 EP disclosed