SCHEMBL9557358

SCHEMBL9557358

Cc1nc(N)c(C[NH])nc1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL7329723 0.77 LMNA (0.37) LMNAKDM4EALDH1A1
SCHEMBL11836648 0.71 LMNA (0.58) LMNAKDM4EALDH1A1NOS3NOS1
SCHEMBL34472783 0.71 LMNA (0.58) LMNAKDM4EALDH1A1NOS3NOS1
SCHEMBL27327809 0.66 ADH1B (0.31)
SCHEMBL7267205 0.66 LMNA (0.46) LMNAKDM4EALDH1A1NOS3NOS1
SCHEMBL2643813 0.65 LMNA (0.50) LMNAKDM4EALDH1A1NOS3NOS1
SCHEMBL8020079 0.60 MAPK1 (0.34) LMNAKDM4EALDH1A1
SCHEMBL26492489 0.60 KDM4E (0.32) LMNAKDM4EALDH1A1
SCHEMBL6038800 0.60 LMNA (0.52) LMNAKDM4EALDH1A1NOS1
SCHEMBL7267204 0.60 LMNA (0.40) LMNAKDM4EALDH1A1NOS1

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
US-5215966-A For treatment of hypertension, hyperaldosteronism and cardiac insufficiency MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
EP-0272444-A2 Renin-inhibiting peptides MERCK PATENT GmbH (DE) 1988-06-29 EP disclosed