SCHEMBL5777818

SCHEMBL5777818

COc1ccc(CNc2nc(-n3cccn3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
HTT P42858 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 2/20 0.43
TSHR P16473 1/20 0.43
PRKCI P41743 4/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
KCNH2 Q12809 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42

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
SCHEMBL5777938 0.93 MAPT (0.47) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7121344 0.90 HTT (0.47) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5781373 0.87 MAPT (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5798360 0.86 PDE5A (0.47) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5129803 0.85 BCDIN3D (0.43) PDE5A
SCHEMBL5121953 0.85 BCDIN3D (0.43) KDM4EALDH1A1GAALMNAPDE5A
SCHEMBL7127406 0.85 MAPT (0.47) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5778132 0.83 KDM4E (0.47) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL5781621 0.83 PDE5A (0.57) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7404512 0.83 MAPT (0.53) MAPTHTTSMN1; SMN2MEN1KMT2A

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-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