SCHEMBL18504845

SCHEMBL18504845

CCOc1ccn(-c2cccc(Br)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
SIGMAR1 Q99720 10/20 0.41
RXRA P19793 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL13603965 0.83 RXRA (0.38) SIGMAR1RXRAGRIN1GRIN2BNOTUM
SCHEMBL13495377 0.81 GAA (0.42) SIGMAR1HTTSMN1; SMN2
SCHEMBL27959719 0.77 RXRA (0.40) RXRAGRIN1GRIN2BMEN1ALDH1A1
SCHEMBL5535694 0.74 MAPT (0.50) RXRAGRIN1GRIN2BMEN1ALDH1A1
SCHEMBL30474527 0.74 MAPT (0.50) RXRAGRIN1GRIN2BMEN1ALDH1A1
SCHEMBL17361374 0.73 PDE10A (0.47) RXRAGRIN1GRIN2BMEN1ALDH1A1
SCHEMBL20001742 0.73 ALDH1A1 (0.43) SIGMAR1NOTUMALDH1A1KMT2AHTT
SCHEMBL31586847 0.72 ALDH1A1 (0.47) RXRAGRIN1GRIN2BMEN1ALDH1A1
SCHEMBL15412947 0.72 KDM4E (0.44) SIGMAR1NOTUMKMT2AHTT
SCHEMBL31586838 0.71 SMN1; SMN2 (0.39) MEN1ALDH1A1KMT2AHTTSMN1; SMN2

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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed