SCHEMBL6977287

SCHEMBL6977287

CC(C(=O)O)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.54
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 9/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 7/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 2/20 0.49
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
PRKDC P78527 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 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
SCHEMBL1239191 0.85 HIF1A (0.58) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL308686 0.83 HIF1A (0.55) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL10957987 0.80 SMN1; SMN2 (0.51) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL10757868 0.80 NPC1 (0.64) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL21480896 0.80 HIF1A (0.56) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL28543600 0.80 HIF1A (0.56) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL10760235 0.79 HPGD (0.63) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL10760246 0.79 GSK3B (0.57) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL10757886 0.79 GSK3B (0.57) HIF1AGSK3BALDH1A1LMNAMAPT
SCHEMBL3235361 0.79 GSK3B (0.61) HIF1AGSK3BALDH1A1LMNAMAPT

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 8 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
EP-0172141-B1 SUBSTITUTED PYRIDAZINONES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATION CONTAINING THESE COMPOUNDS AND THEIR USE CIBA-GEIGY AG (CH) 1988-12-07 EP disclosed
US-4624951-A Substituted pyridazinones, pharmaceutical preparations containing these compounds, and the use thereof CIBA-GEIGY CORPORATION (US) 1986-11-25 US disclosed
EP-0172141-A1 Substituted pyridazinones, method for their preparation, pharmaceutical preparation containing these compounds and their use CIBA-GEIGY AG (CH) 1986-02-19 EP disclosed