SCHEMBL7591087

SCHEMBL7591087

CC(O)c1cc(N)cc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
HIF1A Q16665 3/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 5/20 0.32
KDM4E B2RXH2 5/20 0.32
TDP1 Q9NUW8 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28025338 0.85 ADRB2 (0.39) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL9331671 0.81 UGT2B7 (0.46) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL9331613 0.81 UGT2B7 (0.46) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL9334010 0.81 UGT2B7 (0.46) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL24505571 0.79 MEN1 (0.37) UGT2B7KMT2AMEN1KDM4ELMNA
SCHEMBL10890708 0.79 ALDH1A1 (0.41) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL13677507 0.77 ALDH1A1 (0.43) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL14469274 0.77 ALDH1A1 (0.43) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL1721607 0.77 ALDH1A1 (0.43) UGT2B7ALDH1A1TSHRNOS3NOS1
SCHEMBL19556861 0.75 CYP3A4 (0.35) ALDH1A1TSHRGAARECQLMAPT

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 12 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
EP-3486283-B1 COMPOSITION AND MOLDED ARTICLE UNIV AKITA (JP) 2022-06-15 EP disclosed
CN-106398722-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2018-11-02 CN disclosed
US-9976088-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element having the same CHI MEI CORPORATION (TW) 2018-05-22 US disclosed
CN-106398722-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element 奇美实业股份有限公司 2017-02-15 CN disclosed
US-20170029703-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THE SAME CHI MEI CORPORATION (TW) 2017-02-02 US 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