SCHEMBL6976969

SCHEMBL6976969

COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.57
ALDH1A1 P00352 6/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B3 P37058 1/20 0.53
HSD17B2 P37059 1/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HTT P42858 2/20 0.51
THRB P10828 1/20 0.51
PABPC1 P11940 1/20 0.51
MIF P14174 1/20 0.51
AVPR2 P30518 1/20 0.50
GPR27 Q9NS67 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
CNR1 P21554 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6979537 0.92 HSD17B3 (0.64) LMNAALDH1A1GAAL3MBTL1HSD17B3
SCHEMBL15055007 0.81 ALDH1A1 (0.59) LMNAALDH1A1GAAL3MBTL1HSD17B3
SCHEMBL7146905 0.81 ALDH1A1 (0.57) LMNAALDH1A1GAAL3MBTL1HSD17B3
SCHEMBL6979802 0.80 LMNA (0.60) LMNAALDH1A1GAAL3MBTL1HSD17B3
SCHEMBL6977966 0.78 MAPT (0.70) LMNAALDH1A1GAAMAPTPOLB
SCHEMBL15772389 0.78 MAPT (0.70) LMNAALDH1A1GAAMAPTPOLB
SCHEMBL2892243 0.77 ALDH1A1 (0.51) LMNAALDH1A1GAAL3MBTL1POLB
SCHEMBL164411 0.77 HPGD (0.53) ALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL14012583 0.77 HPGD (0.53) ALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL16211057 0.77 ALDH1A1 (0.67) LMNAALDH1A1GAAL3MBTL1MAPT

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