SCHEMBL5778488

SCHEMBL5778488

COc1ccc(CNc2nc(-c3ccccn3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PRKCI P41743 7/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GFER P55789 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
KCNH2 Q12809 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44

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
SCHEMBL7410138 0.92 MEN1 (0.54) MEN1KMT2APRKCIMAPTLMNA
SCHEMBL5816868 0.91 MEN1 (0.49) MEN1KMT2APRKCIMAPTLMNA
SCHEMBL5779654 0.90 MEN1 (0.54) MEN1KMT2APRKCIMAPTLMNA
SCHEMBL5780526 0.89 PRKCI (0.49) MEN1KMT2APRKCIMAPTHTT
SCHEMBL5778475 0.85 PRKCI (0.62) PRKCI
SCHEMBL5408444 0.85 MEN1 (0.58) MEN1KMT2ALMNAGFERPDE5A
SCHEMBL5130300 0.84 PDE5A (0.46) PDE5APDE10A
SCHEMBL5129707 0.84 PDE5A (0.46) PDE5APDE10A
SCHEMBL5780971 0.84 KDM4E (0.54) PRKCIMAPTKDM4ENPC1ALDH1A1
SCHEMBL7404512 0.84 MAPT (0.53) MEN1KMT2APRKCIMAPTLMNA

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 5 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
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