SCHEMBL22564045

SCHEMBL22564045

Cc1ccc(-n2ccc(OCc3c(C)cccc3N(C)N)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.33
HTT P42858 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL22563981 0.91 SIGMAR1 (0.41) SIGMAR1NR1H4ALDH1A1CYP1A2CYP3A4
SCHEMBL22563890 0.91 GPBAR1 (0.33) SIGMAR1NR1H4KMT2AMAPTTDP1
SCHEMBL22564133 0.89 SIGMAR1 (0.32) SIGMAR1NR1H4
SCHEMBL22563957 0.89 MAPT (0.40) SIGMAR1NR1H4KMT2AMAPTMEN1
SCHEMBL22564160 0.87 HTT (0.46) HTTKMT2APOLBALDH1A1MAPT
SCHEMBL20844942 0.86
SCHEMBL22563902 0.85 SIGMAR1 (0.32) SIGMAR1NR1H4RXRAGRIN1GRIN2B
SCHEMBL22563768 0.83 CYP1A2 (0.31) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22564406 0.83 MEN1 (0.33) HTTKMT2AALDH1A1MAPTTDP1
SCHEMBL20844965 0.81 RXRA (0.32) SIGMAR1NR1H4RXRAGRIN1GRIN2B

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed