SCHEMBL8112746

SCHEMBL8112746

COC(=O)c1cccc(C=C(C#N)C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 3/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ EGFR P00533 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL2862028 0.87 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2862027 0.87 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2862023 0.87 P4HB (0.49) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL32688029 0.81 TDP1 (0.52) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8809121 0.81 P4HB (0.44) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8809116 0.81 P4HB (0.44) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21457237 0.81 UNG (0.58) P4HBEGFRTDP1ALDH1A1KDM4E
SCHEMBL6841774 0.81 ALDH1A1 (0.59) EGFRTDP1ALDH1A1KDM4EMAPT
SCHEMBL2853921 0.79 P4HB (0.57) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2853918 0.79 P4HB (0.57) P4HBGRIN2DGRIN3BGRIN1GRIN2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004584-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation ELI LILLY AND COMPANY LIMITED (GB) 2000-05-31 — — EP disclosed
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 — — EP disclosed
US-5434160-A Autoimmune diseases; prevention of excess cell proliferation or enzyme release LILLY INDUSTRIES LIMITED (GB) 1995-07-18 — — US disclosed
EP-0599514-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation LILLY INDUSTRIES LIMITED (GB) 1994-06-01 — — EP disclosed
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 — — US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 — — US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 — — EP disclosed
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