SCHEMBL8883016

SCHEMBL8883016

CO/N=C(/c1ccccc1O)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.36
AHR P35869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ADRB2 P07550 7/20 0.36
ADRB1 P08588 7/20 0.36
ADRB3 P13945 7/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8883020 1.00 IDO1 (0.43) IDO1KDM4EAHRNPSR1LMNA
SCHEMBL2452897 0.80 IDO1 (0.43) IDO1KDM4EAHRNPSR1ADRB2
SCHEMBL2452894 0.80 IDO1 (0.43) IDO1KDM4EAHRNPSR1ADRB2
SCHEMBL8446155 0.76 HTR1A (0.35) IDO1KDM4EAHRNPSR1ADRB2
SCHEMBL8446154 0.76 HTR1A (0.35) IDO1KDM4EAHRNPSR1ADRB2
SCHEMBL2453069 0.75 IDO1 (0.41) IDO1ADRB2ADRB1ADRB3NR1I2
SCHEMBL2453066 0.75 IDO1 (0.41) IDO1ADRB2ADRB1ADRB3NR1I2
SCHEMBL8882848 0.75 HTR1A (0.52) ADRB2ADRB1ADRB3NR1I2NR3C1
SCHEMBL8882851 0.75 HTR1A (0.52) ADRB2ADRB1ADRB3NR1I2NR3C1
SCHEMBL2449411 0.74 MAPT (0.40) IDO1KDM4ENPSR1TSHRADRB2

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
US-5677465-A FUNGICIDE, HERBICIDE, PLANT GROWTH REGULATOR SHIONOGI & CO., LTD. (JP) 1997-10-14 US disclosed
US-5466661-A Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-11-14 US disclosed
EP-0633252-A1 Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-01-11 EP disclosed