SCHEMBL9033583

SCHEMBL9033583

COc1cc(NC(=O)CC2CSc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.51
GRIN3B O60391 9/20 0.51
GRIN1 Q05586 9/20 0.51
GRIN2A Q12879 9/20 0.51
GRIN2B Q13224 9/20 0.51
GRIN2C Q14957 9/20 0.51
GRIN3A Q8TCU5 9/20 0.51
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL9032522 0.90 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9033093 0.88 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034418 0.86 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9033865 0.86 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034712 0.85 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9035261 0.85 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9035392 0.85 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034027 0.85 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034426 0.85 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9033454 0.85 GRIN2D (0.47) 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-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP claimed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP disclosed