SCHEMBL9816342

SCHEMBL9816342

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
KCNMA1 Q12791 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9816285 0.88 POLB (0.36) LMNASMN1; SMN2POLBGAAALDH1A1
SCHEMBL11015491 0.86 OPRK1 (0.38) POLBALDH1A1L3MBTL1
SCHEMBL7423312 0.81 ALDH1A1 (0.49) SMN1; SMN2POLBGAAALDH1A1TDP1
SCHEMBL10879172 0.78 ALDH1A1 (0.38) LMNASMN1; SMN2POLBGAAALDH1A1
SCHEMBL9816280 0.72 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL11622271 0.71 ALDH1A1 (0.56) LMNASMN1; SMN2POLBGAAALDH1A1
SCHEMBL28408225 0.71 EPHX2 (0.54) SMN1; SMN2POLBGAAALDH1A1TDP1
SCHEMBL9816351 0.70 LMNA (0.51) LMNASMN1; SMN2ALDH1A1
SCHEMBL9816331 0.70 LMNA (0.51) LMNASMN1; SMN2ALDH1A1
SCHEMBL983419 0.70 ALDH1A1 (0.62) SMN1; SMN2POLBALDH1A1TDP1RAB9A

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