SCHEMBL7095239

SCHEMBL7095239

COC(=O)CCCCc1nc(Cl)c2cc(Cl)sc2n1.COC(=O)CCCCc1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PDE5A O76074 9/20 0.39
PDE2A O00408 2/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PPP1CA P62136 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 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
SCHEMBL7099400 0.99 SMN1; SMN2 (0.40) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6709592 0.97 HSD17B10 (0.41) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6709505 0.96 HDAC3 (0.41) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL7096108 0.94 SMN1; SMN2 (0.42) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6708322 0.94 HSD17B10 (0.42) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL7181653 0.92 SMN1; SMN2 (0.39) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6708279 0.91 HSD17B10 (0.43) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6709601 0.88 MAPT (0.42) SMN1; SMN2HSD17B10KDM4ELMNAPDE5A
SCHEMBL6706619 0.88 PDE4A (0.44) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL6707030 0.87 ALDH1A1 (0.42) SMN1; SMN2HSD17B10KDM4ELMNAPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP disclosed
EP-1337256-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2003-08-27 EP disclosed
WO-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO disclosed
WO-2002041896-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 WO disclosed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 EP disclosed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 WO disclosed