SCHEMBL6973976

SCHEMBL6973976

O=S(=O)(Nc1cccc(CBr)c1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
HTR6 P50406 4/20 0.55
CYP19A1 P11511 2/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.51
ESR1 P03372 1/20 0.51
AR P10275 1/20 0.51
IKBKB O14920 1/20 0.51
LIMK2 P53671 1/20 0.51
F2 P00734 1/20 0.50

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
SCHEMBL6973491 0.85 IKBKB (0.69) L3MBTL1HTR6CYP19A1MEN1KMT2A
SCHEMBL15232994 0.82 PKM (0.60) L3MBTL1HTR6CYP19A1MEN1KMT2A
SCHEMBL13028510 0.82 IKBKB (0.64) L3MBTL1HTR6CYP19A1MEN1KMT2A
SCHEMBL509524 0.81 FFAR1 (0.64) MEN1KMT2AALDH1A1AR
SCHEMBL6984050 0.81 FFAR1 (0.64) MEN1KMT2AALDH1A1AR
SCHEMBL3555622 0.78 SLC16A3 (0.72) HTR6MEN1KMT2AALDH1A1LIMK2
SCHEMBL3088575 0.77 HTR6 (0.79) L3MBTL1HTR6CYP19A1MEN1KMT2A
SCHEMBL7175051 0.77 HSD17B2 (0.72) L3MBTL1CYP19A1MEN1KMT2AALDH1A1
SCHEMBL13875341 0.77 L3MBTL1 (0.67) L3MBTL1MEN1KMT2AALDH1A1ESR1
SCHEMBL3556294 0.77 SLC16A3 (0.61) HTR6MEN1KMT2AALDH1A1LIMK2

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