SCHEMBL6653392

SCHEMBL6653392

Nc1ccc(Oc2ccccc2)c(N)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADORA2A P29274 1/20 0.46
TTR P02766 3/20 0.43
LTA4H P09960 2/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
CTNNB1 P35222 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL8852898 0.85 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL9494909 0.82 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL21796059 0.79 ADORA2A (0.55) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL25417816 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL565289 0.78 GAA (0.49) CYP1A2CYP3A4CYP2C9CYP2C19LTA4H
SCHEMBL9768120 0.77 LTA4H (0.55) CYP1A2CYP3A4CYP2C9CYP2C19TTR
SCHEMBL4456664 0.76 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL565201 0.74 CTNNB1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL6048021 0.74 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A
SCHEMBL27898700 0.74 POLB (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082732-A1 Crosslinkable oligoimides FRANCE TELECOM (FR) 2004-04-29 US disclosed
WO-2002057845-A9 CROSSLINKABLE OLIGOIMIDES FRANCE TELECOM (FR) 2004-04-01 WO disclosed
EP-1354242-A1 CROSSLINKABLE OLIGOIMIDES FRANCE TELECOM (FR) 2003-10-22 EP disclosed
WO-2002057845-A1 CROSSLINKABLE OLIGOIMIDES FRANCE TELECOM (FR) 2002-07-25 WO disclosed