SCHEMBL9570970

SCHEMBL9570970

CCCCc1cc(C)c(NCc2ccccc2)c(=O)n1-c1ccccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA2A P08913 1/20 0.32

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
SCHEMBL9571074 0.87 AGTR1 (0.33) MEN1LMNAPOLBHTTKMT2A
SCHEMBL9571000 0.84 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9571028 0.84 AGTR1 (0.34) AGTR1AGTR2ALDH1A1GLAGAA
SCHEMBL9570940 0.82 AGTR1 (0.33) POLBAGTR1AGTR2L3MBTL1
SCHEMBL9570987 0.81 AGTR1 (0.33) AGTR1AGTR2ALDH1A1GLAGAA
SCHEMBL9570928 0.81 AGTR1 (0.33) POLBAGTR1AGTR2ALDH1A1GLA
SCHEMBL9570941 0.81 AGTR1 (0.32) POLBAGTR1AGTR2L3MBTL1
SCHEMBL9571016 0.81 KDM4E (0.34) LMNAPOLBHTTKMT2AAGTR1
SCHEMBL9233694 0.81 SETDB1 (0.35) AGTR1AGTR2
SCHEMBL9571019 0.80 ALDH1A1 (0.38) MEN1LMNAPOLBHTTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed