SCHEMBL7128058

SCHEMBL7128058

Cc1nccn1-c1nc(NCc2ccccc2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.57
HTT P42858 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 4/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
RAB9A P51151 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
KCNH2 Q12809 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 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
SCHEMBL7125609 0.92 HTT (0.55) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL7122823 0.87 HTT (0.50) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5781601 0.86 HTT (0.45) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5781127 0.86 MAPT (0.48) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5781706 0.85 HTT (0.48) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5780791 0.85 HTT (0.48) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL7127406 0.84 MAPT (0.47) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5116457 0.82 ALDH1A1 (0.47) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5781621 0.82 PDE5A (0.57) PDE5AHTTMAPTSMN1; SMN2MEN1
SCHEMBL5798508 0.82 PDE5A (0.57) PDE5AHTTMAPTSMN1; SMN2MEN1

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