SCHEMBL9816285

SCHEMBL9816285

CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@@H](CO)C(=O)Oc2ccccc2[N+](=O)[O-])c1I

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 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
SCHEMBL11015491 0.90 OPRK1 (0.38) POLBALDH1A1L3MBTL1
SCHEMBL9816342 0.88 LMNA (0.40) POLBGAASMN1; SMN2ALDH1A1HTT
SCHEMBL10879172 0.77 ALDH1A1 (0.38) POLBGAASMN1; SMN2ALDH1A1HTT
SCHEMBL9816287 0.74 LMNA (0.44) POLBSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9816330 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7423312 0.70 ALDH1A1 (0.49) POLBGAASMN1; SMN2ALDH1A1HTT
SCHEMBL27056823 0.69 MAOB (0.46) POLBSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL10878174 0.68 TACR1 (0.48) POLBGAARAB9AL3MBTL1
SCHEMBL10875499 0.68 L3MBTL1 (0.59) LMNAL3MBTL1KMT2A
SCHEMBL983419 0.67 ALDH1A1 (0.62) POLBSMN1; SMN2ALDH1A1HTTKDM4E

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 1 patent. 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