SCHEMBL7682667

SCHEMBL7682667

O=c1[nH]c(=S)c2[nH]cnc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.60
MPO P05164 2/20 0.55
TPO P07202 2/20 0.55
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
TLR7 Q9NYK1 3/20 0.46
ACP1 P24666 1/20 0.46
TLR8 Q9NR97 1/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ADORA2A P29274 1/20 0.45
TRAP1 Q12931 2/20 0.45
HSP90B1 P14625 1/20 0.44
CYP3A4 P08684 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL9031047 0.89 PNP (0.75) PNPMPOTPOTLR7PDE4A
SCHEMBL7681629 0.86 PNP (0.80) PNPMPOTPOBRD4BRD2
SCHEMBL9069127 0.77 ADORA2A (0.72) PNPMPOTPOPDE4APDE4B
SCHEMBL7989882 0.77 PNP (0.60) PNPMPOTPOACP1PDE4A
SCHEMBL9032111 0.75 PNP (1.00) PNPMPOTPOBRD4TLR7
SCHEMBL8124420 0.75 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7680197 0.75 TLR7 (0.48) BRD4BRD2BRD3BRDTTLR7
SCHEMBL19945293 0.75 TLR7 (0.59) PNPBRD4BRD2BRD3BRDT
SCHEMBL1376703 0.74 ADORA2A (0.59) PNPMPOTPOPDE4APDE4B
SCHEMBL17814735 0.74 PNP (0.57) PNPMPOTPOTLR7ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP claimed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP claimed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO claimed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed