SCHEMBL6970988

SCHEMBL6970988

COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.57
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54
APH1A Q96BI3 1/20 0.54
PSENEN Q9NZ42 1/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
CYP2C9 P11712 2/20 0.52
LMNA P02545 2/20 0.51

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
SCHEMBL2896487 0.86 ALDH1A1 (0.54) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL25412945 0.86 ALDH1A1 (0.54) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL5324436 0.85 L3MBTL1 (0.62) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL664945 0.84 FFAR1 (0.61) FFAR1MAPTMEN1KMT2ARAB9A
SCHEMBL15480604 0.83 MEN1 (0.55) FFAR1MAPTMEN1KMT2AHTT
SCHEMBL8248621 0.83 FFAR1 (0.48) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL23559368 0.82 FFAR1 (0.56) FFAR1MAPTMEN1KMT2AALDH1A1
SCHEMBL8273576 0.82 POLB (0.68) MEN1KMT2AALDH1A1POLBNR1H2
SCHEMBL6979887 0.81 RAB9A (0.57) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL29632743 0.79 MAPT (0.72) MAPTMEN1KMT2ANPC1RAB9A

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