SCHEMBL6981654

SCHEMBL6981654

COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.78
CTNNB1 P35222 2/20 0.78
POLB P06746 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
PFKFB3 Q16875 1/20 0.54
PFKFB4 Q16877 1/20 0.54

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
SCHEMBL16116948 0.88 TCF4 (1.00) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL31253926 0.88 TCF4 (1.00) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL14896438 0.88 TCF4 (0.80) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL8369354 0.87 TCF4 (0.80) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL10093371 0.87 TCF4 (0.64) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL16116951 0.86 TCF4 (1.00) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL16116946 0.84 TCF4 (0.74) TCF4CTNNB1POLBL3MBTL1SMN1; SMN2
SCHEMBL3088571 0.83 ATIC (0.70) TCF4CTNNB1POLBL3MBTL1SMN1; SMN2
SCHEMBL2896310 0.83 TCF4 (0.73) TCF4CTNNB1POLBSMN1; SMN2LMNA
SCHEMBL1126864 0.83 LMNA (0.64) TCF4CTNNB1POLBL3MBTL1SMN1; SMN2

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