SCHEMBL5797850

SCHEMBL5797850

O=[N+]([O-])c1cccnc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
INPPL1 O15357 1/20 0.50
GFER P55789 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PPARG P37231 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
S1PR4 O95977 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL5795301 0.85 NPC1 (0.56) MAPTGFERNPC1RAB9AKMT2A
SCHEMBL5797991 0.81 NPC1 (0.59) MAPTGFERNPC1RAB9APPARG
SCHEMBL5797579 0.81 KMT2A (0.55) MAPTGFERNPC1RAB9APPARG
SCHEMBL488306 0.80 S1PR4 (0.71) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL16295397 0.79 MAPT (0.64) MAPTGFERNPC1RAB9APPARG
SCHEMBL5797568 0.79 ALDH1A1 (0.52) MAPTGFERNPC1RAB9AKMT2A
SCHEMBL5797255 0.78 NPC1 (0.65) MAPTGFERNPC1RAB9AKMT2A
SCHEMBL2770576 0.76 INPPL1 (0.54) INPPL1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3576759 0.76 INPPL1 (0.54) INPPL1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL5797499 0.75 MGMT (0.55) MAPTNPC1RAB9AKMT2AMEN1

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