SCHEMBL9832694

SCHEMBL9832694

CCOC(=O)C(C)Oc1ccc(Oc2nc3ccccn3c2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 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
SCHEMBL10431669 0.85 MAPT (0.44) PTGS1PTGS2RAB9AKDM4ELMNA
SCHEMBL10431928 0.83 MAPK1 (0.58) PTGS1PTGS2RAB9APOLBKDM4E
SCHEMBL10431971 0.81 TDP1 (0.45) PTGS1PTGS2RAB9APOLBKDM4E
SCHEMBL10913603 0.74 L3MBTL1 (0.45) RAB9ALMNAL3MBTL1GAATDP1
SCHEMBL10431757 0.74 LMNA (0.49) RAB9APOLBKDM4ELMNAL3MBTL1
SCHEMBL31040146 0.73 PTGS1 (1.00) PTGS1PTGS2RAB9APOLBKDM4E
SCHEMBL10431906 0.71 GAA (0.48) RAB9APOLBKDM4ELMNAL3MBTL1
SCHEMBL7981079 0.71 PTGS1 (0.67) PTGS1PTGS2RAB9APOLBKDM4E
SCHEMBL7981077 0.71 PTGS1 (0.58) PTGS1PTGS2POLBKDM4ELMNA
SCHEMBL655938 0.71 MAPT (0.58) PTGS2RAB9AKDM4ELMNAL3MBTL1

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
JP-3251582-A None JP disclosed
JP-H03251582-A IMIDAZO(1,2-A)PYRIDYL COMPOUND TAKEDA CHEM IND LTD 1991-11-11 JP disclosed
EP-0383319-A2 Imidazopyridines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-22 EP disclosed