SCHEMBL6979802

SCHEMBL6979802

COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 1/20 0.60
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.52
GPR27 Q9NS67 3/20 0.50
AVPR2 P30518 2/20 0.50
HSD17B3 P37058 1/20 0.50
HSD17B2 P37059 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL7146905 0.86 ALDH1A1 (0.57) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL6979537 0.85 HSD17B3 (0.64) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL6795551 0.84 LMNA (0.77) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL6976969 0.80 LMNA (0.57) LMNAALDH1A1MAPTGAAL3MBTL1
SCHEMBL6977018 0.80 ALDH1A1 (0.60) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL29221740 0.78 LMNA (0.51) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL6977966 0.78 MAPT (0.70) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL15772389 0.78 MAPT (0.70) LMNAALDH1A1MAPTKDM4EGAA
SCHEMBL6981573 0.78 ALDH1A1 (0.61) LMNAALDH1A1MAPTKDM4EHTT
SCHEMBL1146881 0.77 FFAR4 (0.55) LMNAALDH1A1MAPTKDM4EGAA

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