SCHEMBL7015745

SCHEMBL7015745

O=C(O)c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
PDE5A O76074 1/20 0.48
PRKCI P41743 14/20 0.47
PRKCZ Q05513 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6709545 0.92 PTGS2 (0.52) PTGS2PTPN12PTPN22PRKCIPRKCZ
SCHEMBL8185252 0.92 PTGS2 (0.51) PTGS2PTPN12PTPN22PRKCIPRKCZ
SCHEMBL8182054 0.91 PTGS2 (0.53) PTGS2PTPN12PTPN22PDE5APRKCI
SCHEMBL8178899 0.91 PTPN12 (0.49) PTGS2PTPN12PTPN22PRKCI
SCHEMBL7408485 0.88 PRKCI (0.62) PRKCIPRKCZ
SCHEMBL8182385 0.86 PTGS2 (0.51) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8179988 0.85 PTGS2 (0.65) PTGS2PDE5APRKCIPRKCZKDM4E
SCHEMBL8178683 0.85 PTGS2 (0.55) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL8169588 0.85 PRKCI (0.59) PTGS2PRKCIPRKCZKDM4EMEN1
SCHEMBL7010123 0.84 PDE5A (0.49) PDE5APRKCIMEN1TP53MAPT

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