SCHEMBL5802113

SCHEMBL5802113

COc1ccc(CNc2nc(-n3ccnc3)nc3sc4c(c23)CCCC4)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
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
PSENEN Q9NZ42 1/20 0.46
NOS2 P35228 2/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 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
SCHEMBL5798360 0.92 PDE5A (0.47) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5777938 0.85 MAPT (0.47) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5777730 0.85 MAPT (0.47) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL7129570 0.85 HTT (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5801996 0.85 HTT (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5781127 0.84 MAPT (0.48) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5798508 0.84 PDE5A (0.57) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5119028 0.84 NOS2 (0.48) NOS2LMNAKDM4EALDH1A1GAA
SCHEMBL5799775 0.83 MEN1 (0.53) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5801995 0.82 NOS2 (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
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