SCHEMBL10689448

SCHEMBL10689448

COc1cc2cc(C#N)c(=O)[nH]c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
EHMT2 Q96KQ7 1/20 0.49
IDH1 O75874 16/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22185863 0.83 IDH1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22184885 0.81 IDH1 (0.59) IDH1
SCHEMBL7499153 0.78 IDH1 (0.58) IDH1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16695793 0.78 IDH1 (0.59) IDH1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10686783 0.78 KDM4E (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7882415 0.76 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19146445 0.75 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12147466 0.74 ALDH1A1 (0.53) KDM4EALDH1A1
SCHEMBL12147725 0.73 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL1292034 0.72 GRIN2D (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120484-B1 (1H-TETRAZOL-5-YL)TETRAZOLO (1,5-A)-QUINOLINES AND RELATED COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-22 EP disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4496569-A Antiallergic (1H-tetrazol-5-yl)tetrazolo[1,5-a]quinolines and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-29 US disclosed
EP-0120484-A1 (1H-tetrazol-5-yl)tetrazolo (1,5-a)-quinolines and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed