SCHEMBL6977099

SCHEMBL6977099

O=c1cc(-c2ccc(N3CCOCC3)cc2)nc(S)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.72
MAP3K11 Q16584 3/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
AHR P35869 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SYK P43405 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
HCRTR1 O43613 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL6977094 0.78 XDH (0.45) XDHMAPTL3MBTL1TDP1RAB9A
SCHEMBL6969615 0.73 XDH (0.66) XDHKDM4EALDH1A1HPGDMAPK1
SCHEMBL5381034 0.73 HSD17B10 (0.58) XDHKDM4EALDH1A1MAPK1GAA
SCHEMBL14072024 0.69 XDH (0.53) XDHALDH1A1LMNASMN1; SMN2POLB
SCHEMBL30480900 0.69 MAPK1 (0.59) XDHKDM4EMAPTALDH1A1MAPK1
SCHEMBL4553923 0.69 MAPK1 (0.59) XDHKDM4EMAPTALDH1A1MAPK1
SCHEMBL20576422 0.69 XDH (0.52) XDHKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL14079828 0.69 XDH (0.52) XDHKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL6972156 0.68 XDH (0.70) XDHKDM4EMAPTALDH1A1MAPK1
SCHEMBL541370 0.66 MAPT (0.50) XDHKDM4EMAPTALDH1A1L3MBTL1

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-1109560-B1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2003-08-27 EP disclosed
US-6525050-B1 Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-1109560-A4 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2002-04-17 EP disclosed
EP-1109560-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
WO-2000013688-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed