SCHEMBL20195452

SCHEMBL20195452

O=C(O)c1cccc(C2CC2)c1COc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
HCRTR2 O43614 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HRH2 P25021 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
STING1 Q86WV6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20195599 0.83 GABRA5 (0.43) GABRA5HCRTR2NR1H4HCRTR1
SCHEMBL18503932 0.80 PDE4D (0.36) ASPHKDM8ALOX5APFEN1NR1H4
SCHEMBL22563821 0.79 PDE4D (0.35) ASPHKDM8ALOX5APFEN1NR1H4
SCHEMBL16385608 0.78 RXRA (0.48) PTGDR2KDM4EHRH2MEN1KMT2A
SCHEMBL20195529 0.77 HTT (0.46) GABRA5MEN1KMT2A
SCHEMBL20195565 0.77 ALDH1A1 (0.44) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20195609 0.76 MEN1 (0.51) GABRA5L3MBTL1MEN1KMT2AHCRTR1
SCHEMBL3978369 0.74 KDM4E (0.43) ASPHKDM8KDM4ETDP1L3MBTL1
SCHEMBL20195588 0.74 HTR1A (0.38) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL17788221 0.74 SLC22A12 (0.43) NR1H4KDM4ESTING1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed