SCHEMBL7014043

SCHEMBL7014043

O=C(O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 1/20 0.41
MAPT P10636 6/20 0.41
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PDE5A O76074 1/20 0.39
PTGS2 P35354 4/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
KCNH2 Q12809 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 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
SCHEMBL7014106 0.91 HTT (0.41) RNASELMAPTHTTMEN1KMT2A
SCHEMBL8180391 0.90 RNASEL (0.42) RNASELMAPTHTTMEN1KMT2A
SCHEMBL7009771 0.89 PDE5A (0.50) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL8179525 0.86 PSMD14 (0.44) RNASELMAPTHTTMEN1KMT2A
SCHEMBL7017474 0.86 JAK2 (0.40) HTTSMN1; SMN2PDE5AKCNH2ALDH1A1
SCHEMBL7018546 0.85 JAK2 (0.40) PDE5AKCNH2ALDH1A1KDM4EJAK2
SCHEMBL7013924 0.85 MAPT (0.45) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL7010973 0.85 MAPT (0.44) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL7018537 0.85 KMT2A (0.48) MAPTHTTMEN1KMT2ANPSR1
SCHEMBL7014536 0.84 JAK2 (0.40) MAPTMEN1KMT2APDE5AKCNH2

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 disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed