SCHEMBL2853029

SCHEMBL2853029

NC(=O)Oc1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
HPGD P15428 3/20 0.73
HTT P42858 3/20 0.73
TDP1 Q9NUW8 2/20 0.73
LMNA P02545 2/20 0.71
NPSR1 Q6W5P4 4/20 0.68
KDM4E B2RXH2 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
GAA P10253 1/20 0.68
EEF2K O00418 10/20 0.52
MAPT P10636 4/20 0.51
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
USP2 O75604 1/20 0.46
PTK2B Q14289 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL429207 0.84 ALDH1A1 (1.00) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13941637 0.82 ALDH1A1 (0.96) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13392917 0.79 ALDH1A1 (0.81) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL3166845 0.78 ALDH1A1 (0.79) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13393359 0.77 ALDH1A1 (0.78) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13392961 0.76 ALDH1A1 (0.74) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13392945 0.75 ALDH1A1 (0.73) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL5742051 0.74 HPGD (0.54) ALDH1A1HPGDTDP1NPSR1KDM4E
SCHEMBL429444 0.74 ALDH1A1 (0.70) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL1320409 0.72 HPGD (0.56) ALDH1A1HPGDHTTTDP1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 EP disclosed
EP-1773840-A1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE Curacyte Discovery GmbH (DE) 2007-04-18 EP disclosed
WO-2006010567-A1 SUBSTITUTED PYRIDO[3', 2': 4, 5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3', 2': 4, 5]FURO[3, 2, D]PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF$G(A) CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO disclosed