SCHEMBL9158583

SCHEMBL9158583

O=c1nc(N2CCOCC2)sc(N2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.54
PIK3CA P42336 7/20 0.54
PIK3CB P42338 7/20 0.54
PIK3CG P48736 6/20 0.54
SMN1; SMN2 Q16637 7/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
ALOX15 P16050 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 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
SCHEMBL1853644 0.73 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL4850658 0.72 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL303137 0.71 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL28253992 0.71 SMN1; SMN2 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL1853490 0.70 HTT (0.64) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL25932800 0.70 ALDH1A1 (0.71) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL28317825 0.70 AR (0.51) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL2559774 0.70 ALDH1A1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL31082099 0.69 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL9963514 0.69 RAB9A (0.74) SMN1; SMN2RAB9ANPC1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486041-B1 A method for producing thiadiazine compounds AGENCY IND SCIENCE TECHN (JP) 1995-02-22 EP disclosed
US-5138053-A METHOD FOR PRODUCING THIADIAZINE COMPOUNDS DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-08-11 US disclosed
EP-0486041-A1 A method for producing thiadiazine compounds DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-05-20 EP disclosed