SCHEMBL9033865

SCHEMBL9033865

COc1cccc(NC(=O)CC2CSc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.55
GRIN3B O60391 4/20 0.55
GRIN1 Q05586 4/20 0.55
GRIN2A Q12879 4/20 0.55
GRIN2B Q13224 4/20 0.55
GRIN2C Q14957 4/20 0.55
GRIN3A Q8TCU5 4/20 0.55
MAP2K1 Q02750 1/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPT P10636 1/20 0.41

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 0.92 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9032450 0.91 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9033093 0.91 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034426 0.88 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034027 0.88 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9035392 0.88 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034712 0.86 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034285 0.86 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9034418 0.86 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9033583 0.86 GRIN2D (0.51) 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