SCHEMBL6233559

SCHEMBL6233559

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 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
SCHEMBL118823 0.83 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL8407230 0.78 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL1966503 0.77 KCNJ1 (0.44) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL28051268 0.76 MAPT (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL424239 0.75 TAAR1 (0.47) ALDH1A1
SCHEMBL173199 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL16806060 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL16806066 0.75 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTCYP1A2
SCHEMBL1964763 0.75 ALDH1A1 (0.45) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL2027813 0.75 MAPT (0.45) ALDH1A1MAPTCYP1A2CYP3A4TSHR

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
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed