SCHEMBL5779654

SCHEMBL5779654

Clc1ccc(CNc2nc(-c3ccccn3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GFER P55789 1/20 0.49
PDE5A O76074 1/20 0.48
PRKCI P41743 10/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRKCZ Q05513 1/20 0.46
TP53 P04637 1/20 0.45
PTGS2 P35354 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
SCHEMBL5778488 0.90 MEN1 (0.51) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL5780203 0.88 PDE5A (0.62) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL8205517 0.88 PRKCI (0.48) MEN1KMT2AMAPTKDM4EPRKCI
SCHEMBL5781850 0.87 MEN1 (0.57) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL5781173 0.86 MEN1 (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7522396 0.85 MEN1 (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL5815509 0.85 PRKCI (0.45) MEN1KMT2AMAPTKDM4EPRKCI
SCHEMBL5781474 0.85 MAPT (0.49) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7410138 0.85 MEN1 (0.54) MEN1KMT2AMAPTLMNAGFER
SCHEMBL5778467 0.85 MEN1 (0.52) MEN1KMT2AMAPTLMNAKDM4E

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