SCHEMBL7126312

SCHEMBL7126312

c1ccc(CNc2nc(-n3cncn3)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.59
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
PRKCI P41743 5/20 0.46
PRKCZ Q05513 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL5780076 0.91 MEN1 (0.52) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL7129443 0.87 HTT (0.47) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5778490 0.85 RNASEL (0.45) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5781621 0.85 PDE5A (0.57) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5777730 0.85 MAPT (0.47) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5782312 0.85 HTT (0.45) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5777372 0.85 PTPN12 (0.45) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5798508 0.83 PDE5A (0.57) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5781373 0.82 MAPT (0.45) PDE5AMAPTMEN1KMT2AHTT
SCHEMBL5116019 0.80 ALDH1A1 (0.47) PDE5AMAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed