SCHEMBL11147302

SCHEMBL11147302

O=C(SCCC(=O)N1Cc2ccccc2CC1C(=O)ON(C1CCCCC1)C1CCCCC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
PREP P48147 6/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACE P12821 1/20 0.38
POLB P06746 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 4/20 0.36
HTR7 P34969 4/20 0.36

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
SCHEMBL11389986 0.83 ACE (0.44) KMT2APREPTDP1L3MBTL1ACE
SCHEMBL11149876 0.83 ACE (0.55) KMT2AACE
SCHEMBL11148777 0.81 KMT2A (0.54) KMT2APREPTDP1L3MBTL1ACE
SCHEMBL11044573 0.81 KMT2A (0.45) KMT2AACE
SCHEMBL11050571 0.81 KMT2A (0.45) KMT2AACE
SCHEMBL11047878 0.81 KMT2A (0.45) KMT2AACE
SCHEMBL11147278 0.80 KMT2A (0.50) KMT2APREPTDP1L3MBTL1ACE
SCHEMBL11372947 0.79 KMT2A (0.51) KMT2APREPKDM4EMEN1
SCHEMBL11398821 0.73 ACE (0.63) ACE
SCHEMBL10923194 0.72 ACE (0.46) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012845-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 EP disclosed
US-4256751-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1981-03-17 US disclosed