SCHEMBL3845006

SCHEMBL3845006

OC1=CC=CCC1=NC(O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KCNA5 P22460 5/20 0.33
KCNE1 P15382 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AHR P35869 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
RECQL P46063 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3844967 0.80 TP53 (0.35) TSHRTP53MAPTKDM4EKCNA5
SCHEMBL3849158 0.78 TP53 (0.34) TSHRTP53MAPTKDM4EKCNA5
SCHEMBL3843681 0.78 MEN1 (0.36) MAPTALDH1A1MEN1KMT2A
SCHEMBL3849663 0.77 PTPRA (0.40) TSHRMAPTKDM4ESLC6A4CYP1A2
SCHEMBL3851781 0.77 TRPV3 (0.34) TP53MAPTKDM4EKCNA5KCNE1
SCHEMBL3849156 0.76 IDH1 (0.35) TSHRTP53KDM4EKCNA5KCNE1
SCHEMBL3844520 0.75 KDM4E (0.34) TP53KDM4EKCNA5KCNE1SLC6A2
SCHEMBL3343312 0.74 ADRA2A (0.39) TSHRTP53MAPTKDM4EALDH1A1
SCHEMBL3848616 0.73 HTR2B (0.32)
SCHEMBL3341792 0.70 SMN1; SMN2 (0.41) TSHRCYP1A2ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010550-A1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-01-07 EP disclosed
WO-2007122139-A1 POLYMERISATION OF ETHYLENE AND ALPHA-OLEFINS WITH PYRIDINO-IMINOPHENOL COMPLEXES TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2007-11-01 WO disclosed