SCHEMBL8141920

SCHEMBL8141920

COc1cccc(C)c1C(N=C=O)Oc1cccn2c(C)c(C)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
CYP2C9 P11712 5/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 3/20 0.47
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATP4A P20648 4/20 0.33
ATP4B P51164 4/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31

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
SCHEMBL6358560 0.76 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL10518733 0.66 CA1 (0.36) CYP3A4CYP1A2CYP2C19TP53MAPT
SCHEMBL7499341 0.65 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL13176306 0.65 CYP1A2 (0.58) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL6350752 0.65 CYP3A4 (0.69) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL6356148 0.63 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL6351485 0.62 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL7216941 0.62 CYP3A4 (0.81) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL28749509 0.62 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL14685219 0.61 CYP1A2 (0.42) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6

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
EP-0683780-B1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES BYK GULDEN LOMBERG CHEM FAB (DE) 2000-04-26 EP disclosed
EP-0683780-A1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 EP disclosed
WO-1994018199-A1 IMIDAZOPYRIDINES AND THEIR USE IN TREATING GASTROINTESTINAL DISEASES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-08-18 WO disclosed