SCHEMBL6674136

SCHEMBL6674136

Oc1cccc(C(O)CNc2ncccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.59
ADRB1 P08588 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRB2 P07550 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRB3 P13945 1/20 0.59
TSHR P16473 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
NFKB1 P19838 1/20 0.59
DRD1 P21728 1/20 0.59
HTR7 P34969 1/20 0.59
ADRA1B P35368 1/20 0.59
DRD3 P35462 1/20 0.59
RAB9A P51151 1/20 0.59
SLC6A3 Q01959 1/20 0.59
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58

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
Fenyripol SCHEMBL828783 0.82 CYP2D6 (0.70) ADRB2RAB9AKDM4ECYP2D6
Fenyripol SCHEMBL120829 0.80 CYP2D6 (0.68) ADRB2RAB9ALMNAKDM4ECYP2D6
SCHEMBL22953698 0.78 HIF1A (0.73) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL143879 0.76 HIF1A (0.93) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL1650043 0.76 HIF1A (0.93) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL4712 0.75 HIF1A (1.00) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL29382851 0.75 HIF1A (1.00) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL895602 0.75 HIF1A (1.00) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL29374674 0.75 HIF1A (1.00) HIF1AADRB1ADRA1AADRB2HTR1A
Phenylephrine SCHEMBL29392606 0.75 HIF1A (1.00) HIF1AADRB1ADRA1AADRB2HTR1A

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-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed