SCHEMBL9816296

SCHEMBL9816296

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
FPR2 P25090 3/20 0.52
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRN P28799 3/20 0.45
SORT1 Q99523 3/20 0.45
MAPT P10636 1/20 0.44
FOLH1 Q04609 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL9816330 0.86 SMN1; SMN2 (0.49) ALDH1A1FPR2LMNAMAPTSMN1; SMN2
SCHEMBL10879046 0.84 LMNA (0.46) LMNAGRNSORT1SMN1; SMN2CA2
SCHEMBL9816278 0.84 LMNA (0.46) LMNAGRNSORT1SMN1; SMN2CA2
SCHEMBL9816290 0.84 PPID (0.43) ALDH1A1FPR2LMNAMAPTSMN1; SMN2
SCHEMBL11012483 0.82 FOLH1 (0.49) LMNAFOLH1SMN1; SMN2
SCHEMBL9816288 0.82 ITGB2 (0.49) ALDH1A1FPR2LMNAMEN1KMT2A
SCHEMBL9816279 0.82 ITGB2 (0.49) ALDH1A1FPR2LMNAMEN1KMT2A
SCHEMBL9816351 0.81 LMNA (0.51) ALDH1A1FPR2LMNAFOLH1SMN1; SMN2
SCHEMBL9816331 0.81 LMNA (0.51) ALDH1A1FPR2LMNAFOLH1SMN1; SMN2
SCHEMBL11012485 0.80 CA2 (0.43) LMNAKMT2AFOLH1SMN1; SMN2CA2

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 3 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
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