SCHEMBL9010720

SCHEMBL9010720

CC(=O)NC(=CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.51
CES1 P23141 2/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CES2 O00748 1/20 0.49
SRD5A2 P31213 1/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC22A12 Q96S37 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL3029025 0.81 MAPK1 (0.61) MAPK1MEN1KMT2ATDP1CES1
SCHEMBL1259142 0.81 MAPK1 (0.61) MAPK1MEN1KMT2ATDP1CES1
SCHEMBL11060793 0.80 KDM4E (0.68) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL6648182 0.79 MTNR1A (0.44) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL5072835 0.79 MTNR1A (0.44) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL388144 0.79 MTNR1A (0.44) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL387761 0.78 MTNR1A (0.43) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL19435749 0.77 MAPK1 (0.59) MAPK1MEN1KMT2ATDP1KDM4E
SCHEMBL4022213 0.75 KMT2A (0.41) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL12168643 0.75 MAPK1 (0.61) MAPK1MEN1KMT2ATDP1CES1

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-0279307-B2 Bifunctional chelating agents ABBOTT LAB (US) 1996-11-13 EP disclosed
US-5227474-A Complexing with radioactive metals, binding to biologically active molecules for treatment of tumors and diagnostic imaging ABBOTT LABORATORIES (US) 1993-07-13 US disclosed
US-5057302-A Stable metal complexes of a substrate having a carboxymethyl arm of a polyaminopolycarboxylate framework; medical diagnosis; immunoassay; radiology; antitumor and anticarcinogenic agents ABBOTT LABORATORIES (US) 1991-10-15 US disclosed