SCHEMBL7018750

SCHEMBL7018750

O=C(O)c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)sc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.52
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2C19 P33261 5/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 1/20 0.48
HIF1A Q16665 1/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46

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
SCHEMBL8179119 0.91 ALDH1A1 (0.45) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8170398 0.90 HSD17B10 (0.47) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7013836 0.89 PDE5A (0.52) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8181999 0.88 PDE5A (0.52) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5130013 0.87 MAPT (0.53) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8178910 0.87 USP1 (0.51) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8185519 0.87 PDE5A (0.50) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8179417 0.86 PDE5A (0.49) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8171150 0.86 LMNA (0.43) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8178013 0.85 FYN (0.48) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed