SCHEMBL8101772

SCHEMBL8101772

Cc1c(F)c([N+](=O)[O-])c2nn[nH]c2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
GRIN2D O15399 5/20 0.36
GRIN3B O60391 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36
GRIN2B Q13224 5/20 0.36
GRIN2C Q14957 5/20 0.36
GRIN3A Q8TCU5 5/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL8626665 0.76 GRIN2D (0.35) ADORA2AADORA2BGRIN2DGRIN3BGRIN1
SCHEMBL8116139 0.75 MAPT (0.40) ADORA2AADORA2BGRIN2DGRIN3BGRIN1
SCHEMBL2837882 0.72 ADORA2A (0.35) ADORA2AADORA2BMEN1KMT2A
SCHEMBL20558558 0.72 TSHR (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28909297 0.72 TSHR (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8643113 0.72
SCHEMBL8622456 0.71 TSHR (0.36) ADORA2AADORA2BGRIN2DGRIN3BGRIN1
SCHEMBL1019999 0.69 GRIN2D (0.52) ADORA2AADORA2BGRIN2DGRIN3BGRIN1
SCHEMBL8111807 0.69 TSHR (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28854521 0.69 TSHR (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1047693-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 EP disclosed
WO-1999031091-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed