SCHEMBL9850812

SCHEMBL9850812

C1=CSc2ccncc2N1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16155909 0.84 GAA (0.42) GAAMAPTIDO1L3MBTL1
SCHEMBL2150032 0.69 IDO1 (0.36) GAAMAPTIDO1L3MBTL1
SCHEMBL9197031 0.67 GAA (0.33) GAAMAPTIDO1L3MBTL1
SCHEMBL2001603 0.63
SCHEMBL9197036 0.61 GAA (0.32) GAAMAPTIDO1L3MBTL1
SCHEMBL3948699 0.60 ALDH1A1 (0.34)
SCHEMBL14363747 0.60 CHRNB2 (0.38)
SCHEMBL9850831 0.60
SCHEMBL5758572 0.60 GAA (0.55) GAAMAPTIDO1L3MBTL1
SCHEMBL2113156 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed
US-4451650-A ANTITUMOR AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1984-05-29 US disclosed
US-4451650-A ANTITUMOR AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1984-05-29 US disclosed
EP-0107130-A1 Pyrido(4,3-b)(1,4) oxazines and pyrido(4,3-b) (1,4)thiazines Southern Research Institute (US) 1984-05-02 EP disclosed
EP-0107130-A1 Pyrido(4,3-b)(1,4) oxazines and pyrido(4,3-b) (1,4)thiazines Southern Research Institute (US) 1984-05-02 EP disclosed