SCHEMBL6636043

SCHEMBL6636043

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2ncnc(NCl)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADK P55263 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
SLC29A1 Q99808 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL7744270 0.87 MAPK1 (0.40) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL7161653 0.87 TSHR (0.51) TDP1HIF1ATP53HTTADORA2A
SCHEMBL177666 0.87 HSPA8 (0.44) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL1320879 0.85 ADORA3 (0.51) TDP1TP53ADKADORA2ASLC29A1
SCHEMBL258936 0.77 LMNA (0.36) ALDH1A1TP53HTTADORA2AADORA3
SCHEMBL7744286 0.77 ALDH1A1 (0.39) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL1976100 0.77 HSPA8 (0.46) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL7617960 0.75 ADORA3 (0.43) MAPK1TDP1CYP1A2STAT6HIF1A
SCHEMBL7746161 0.71 HSPA8 (0.42) MAPK1STAT6HIF1AADKADORA2A
SCHEMBL2295173 0.70 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758897-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2004-02-25 EP disclosed
US-6392049-B1 NITRATION USING NITRIC ACID AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
US-6307054-B1 HEATING A 5-CARBOXY-2,4-DIHYROXYPYRIDINE AND PHOSPHORIC ACID WHERE THE RATIO OF PHOSPHORIC ACID TO WATER IS NOT LESS THAN ABOUT 27 TO 1 WEIGHT %. AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-10-23 US disclosed
EP-1006115-A2 Imidazopyridines having antihypertensive, cardioprotective, anti-ischemic and antilipolytic properties RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-06-07 EP disclosed
US-5736554-A TREATING AND/OR PREVENTING CARDIOVASCULAR DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-07 US disclosed
EP-0758897-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1997-11-19 EP disclosed
US-5652366-A ADENOSINE AGONISTS; HYPOTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC, AND ANTILIPOLYTIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-29 US disclosed
EP-0758897-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-02-26 EP disclosed
US-5561134-A ADENOSINE DERIVATIVES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
WO-1995028160-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-26 WO disclosed
US-5364862-A Adenosine derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-11-15 US disclosed