SCHEMBL6673308

SCHEMBL6673308

COc1ccc(Cn2c(=S)[nH]c(=O)c3[nH]c(C(C)(C)OCc4ccccc4)nc32)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
CSF1R P07333 3/20 0.42
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NTSR1 P30989 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6674993 0.96 ALDH1A1 (0.45) SIRT2CSF1RMAPK1HSD17B10ALDH1A1
SCHEMBL6679227 0.88 PDE4A (0.49)
SCHEMBL7540954 0.88 ALDH1A1 (0.40) SIRT2CSF1RMAPK1HSD17B10ALDH1A1
SCHEMBL6675806 0.84 SIRT2 (0.45) SIRT2CSF1RMAPK1HSD17B10ALDH1A1
SCHEMBL7496824 0.83 MAPK1 (0.45) SIRT2CSF1RMAPK1HSD17B10ALDH1A1
SCHEMBL6673648 0.82 PDE4A (0.52)
SCHEMBL6673641 0.82 PDE4A (0.48)
SCHEMBL7734207 0.81 PDE4A (0.48)
SCHEMBL6673336 0.81 PDE4A (0.47) SIRT2CSF1RMAPK1HSD17B10ALDH1A1
SCHEMBL7493769 0.80 SIRT2 (0.42) SIRT2CSF1RMAPK1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1045849-B1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2003-07-02 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
EP-1045849-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2001-10-31 EP disclosed
US-6228859-B1 ANTIASTHMATIC, ANTIINFLAMMATORY, ANTIALLERGEN AND ANTIDEPRESSANT AGENTS EURO-CELTIQUE S.A. (LU) 2001-05-08 US disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
CN-1284077-A Purine derivatives having phosphodiesterase IV inhibition activity EURO CELTIQUE SA (LU) 2001-02-14 CN disclosed
EP-1045849-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2000-10-25 EP disclosed
WO-1999031102-A1 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE, S.A. (LU) 1999-06-24 WO disclosed