SCHEMBL28301520

SCHEMBL28301520

O=[N+]([O-])c1cccnc1-n1cccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
PDE10A Q9Y233 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.47
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3998281 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL781659 0.79 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL8675692 0.78 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL29577310 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL20719854 0.76 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL6708175 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL5795083 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL12528786 0.76 TDP1 (0.56) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
Hydrochloric Acid SCHEMBL27538332 0.75 CYP1A2 (0.97) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL29823784 0.74 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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
CN-110022902-A Conjugates comprising a GLP-1/glucagon dual agonist, a linker and hyaluronic acid 赛诺菲 2019-07-16 CN disclosed