SCHEMBL6977966

SCHEMBL6977966

COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
ALDH1A1 P00352 4/20 0.70
HTT P42858 2/20 0.70
GAA P10253 1/20 0.70
ALOX15 P16050 1/20 0.70
TSHR P16473 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
POLB P06746 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61

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
SCHEMBL15772389 1.00 MAPT (0.70) MAPTALDH1A1HTTGAAALOX15
SCHEMBL25315174 0.92 MAPT (0.80) MAPTALDH1A1HTTGAAALOX15
SCHEMBL1832364 0.86 MAPT (0.72) MAPTALDH1A1HTTGAAALOX15
SCHEMBL5925553 0.86 MAPT (0.72) MAPTALDH1A1HTTGAAALOX15
SCHEMBL1279147 0.85 PLAU (0.72) MAPTALDH1A1HTTGAAALOX15
SCHEMBL25413790 0.85 MAPT (0.70) MAPTALDH1A1HTTGAAALOX15
SCHEMBL21761420 0.84 ALDH1A1 (0.69) MAPTALDH1A1HTTGAAALOX15
SCHEMBL14057926 0.84 MAPT (0.74) MAPTALDH1A1GAASMN1; SMN2POLB
SCHEMBL6981654 0.83 TCF4 (0.78) MAPTHTTGAASMN1; SMN2POLB
SCHEMBL1028840 0.83 CA1 (0.71) MAPTALDH1A1GAAPOLBMEN1

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