SCHEMBL6976424

SCHEMBL6976424

Cc1cc(CBr)ccc1S(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
HTT P42858 3/20 0.55
PKM P14618 4/20 0.53
TAS2R14 Q9NYV8 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
IDH1 O75874 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
SCHEMBL6971665 0.87 HTT (0.54) LMNAHTTPKMTAS2R14NPSR1
SCHEMBL509524 0.77 FFAR1 (0.64) LMNAPKMALDH1A1KMT2AMAPT
SCHEMBL6984050 0.77 FFAR1 (0.64) LMNAPKMALDH1A1KMT2AMAPT
SCHEMBL6983562 0.76 FFAR4 (0.56) KMT2AMEN1FFAR4
SCHEMBL6974155 0.74 LMNA (0.55) LMNAHTTPKMTAS2R14NPSR1
SCHEMBL5756302 0.71 L3MBTL1 (0.55) LMNAALDH1A1KMT2AMEN1
SCHEMBL28750140 0.71 HTT (0.62) LMNAHTTPKMTAS2R14NPSR1
SCHEMBL7534450 0.70 PKM (0.59) LMNAHTTPKMTAS2R14NPSR1
SCHEMBL16528853 0.70 ALDH1A1 (0.54) HPGDALDH1A1KMT2AMAPTMEN1
SCHEMBL4815825 0.70 HDAC3 (0.69) PKMATM

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