SCHEMBL5800724

SCHEMBL5800724

c1cc(-c2nc(NCc3ccc4c(c3)OCCO4)c3c4c(sc3n2)CCCC4)on1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRKCI P41743 17/20 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
SCHEMBL5798171 0.95 MEN1 (0.46) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5799122 0.87 MAPT (0.48) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5802431 0.86 PRKCI (0.47) HTTSMN1; SMN2PRKCI
SCHEMBL5802365 0.86 MEN1 (0.54) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5780827 0.85 PRKCI (0.62) PRKCI
SCHEMBL5801076 0.85 PDE5A (0.57) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5128684 0.84 ALDH1A1 (0.48) MEN1KMT2AMAPTSMN1; SMN2PRKCI
SCHEMBL5781173 0.83 MEN1 (0.52) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5800559 0.83 PRKCI (0.48) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL8205062 0.83 PRKCI (0.46) MEN1KMT2AMAPTHTTSMN1; 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 3 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
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed