SCHEMBL5797630

SCHEMBL5797630

O=C1CCCN1CCOc1ncccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PDK2 Q15119 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
SCHEMBL14334375 0.94 LTA4H (0.51) LTA4HMEN1KMT2APOLBLMNA
SCHEMBL7001657 0.80 MEN1 (0.51) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL14376687 0.77 LTA4H (0.64) LTA4HMEN1KMT2APOLBCYP1A2
SCHEMBL620836 0.75 MEN1 (0.52) LTA4HMEN1KMT2APOLBCYP1A2
SCHEMBL14334243 0.74 MEN1 (0.44) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL14334762 0.73 LTA4H (0.57) LTA4HMEN1KMT2APOLBCYP1A2
SCHEMBL12519500 0.72 POLB (0.63) LTA4HMEN1KMT2APOLBLMNA
SCHEMBL2368431 0.72 ALDH1A1 (0.56) LTA4HMEN1KMT2APOLBLMNA
SCHEMBL31701918 0.72 ALDH1A1 (0.60) LTA4HMEN1KMT2APOLBLMNA
SCHEMBL19172851 0.72 ALDH1A1 (0.56) LTA4HMEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed