SCHEMBL9816331

SCHEMBL9816331

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@@H](C)C(=O)O)c1I

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.43
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
FOLH1 Q04609 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CCKAR P32238 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FPR2 P25090 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
SCHEMBL9816351 1.00 LMNA (0.51) LMNASMN1; SMN2CA2CA1FOLH1
SCHEMBL11695253 0.91 LMNA (0.44) LMNASMN1; SMN2CA2CA1FOLH1
SCHEMBL11695242 0.91 LMNA (0.44) LMNASMN1; SMN2CA2CA1FOLH1
SCHEMBL9816280 0.81 LMNA (0.49) LMNASMN1; SMN2ALDH1A1
SCHEMBL9816296 0.81 ALDH1A1 (0.53) LMNASMN1; SMN2CA2CA1FOLH1
SCHEMBL9816330 0.80 SMN1; SMN2 (0.49) LMNASMN1; SMN2CA2CA1ALDH1A1
SCHEMBL11694441 0.80 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL11694445 0.80 LMNA (0.47) LMNASMN1; SMN2
SCHEMBL10879046 0.79 LMNA (0.46) LMNASMN1; SMN2CA2CA1
SCHEMBL9816278 0.79 LMNA (0.46) LMNASMN1; SMN2CA2CA1

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-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 claimed
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
US-4607123-A X-RAY CONTRAST AGENTS DR. FRANZ KOHLER CHEMIE GMBH (DE) 1986-08-19 US 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