SCHEMBL7590710

SCHEMBL7590710

CC(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
GALR3 O60755 1/20 0.42
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
GPR35 Q9HC97 2/20 0.41
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
TTR P02766 1/20 0.39

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
SCHEMBL8416204 0.88 ALDH1A1 (0.51) CYP19A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8418032 0.88 CYP19A1 (0.39) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL361726 0.87 MEN1 (0.40) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL15542567 0.82 ALDH1A1 (0.41) MEN1KMT2AHTTLMNATSHR
SCHEMBL8250738 0.82 CYP19A1 (0.54) CYP19A1MEN1KMT2AHTTLMNA
SCHEMBL3474640 0.80 MEN1 (0.61) MEN1KMT2AHTTLMNATSHR
SCHEMBL31580477 0.80 MEN1 (0.61) MEN1KMT2AHTTLMNATSHR
SCHEMBL27525245 0.80 MEN1 (0.61) MEN1KMT2AHTTLMNATSHR
SCHEMBL2545597 0.80 MEN1 (0.61) MEN1KMT2AHTTLMNATSHR
SCHEMBL6302886 0.80 MEN1 (0.61) MEN1KMT2AHTTLMNATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454164-B Preparation method of terbutaline sulfate 山东美泰医药有限公司 2022-08-12 CN disclosed
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed