SCHEMBL17675751

SCHEMBL17675751

Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2cccc(F)c2)NCCC3)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.56
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.40
PARP1 P09874 1/20 0.38
POLB P06746 1/20 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
SCHEMBL13827792 0.92 SLC6A9 (0.57) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL13827329 0.91 SLC6A9 (0.67) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL13827231 0.87 SLC6A9 (0.59) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL13827337 0.87 SLC6A9 (0.57) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL17675754 0.85 POLB (0.40) SLC6A9KMT2ALMNAPOLB
SCHEMBL17675764 0.82 SLC6A9 (0.42) SLC6A9KMT2AGAAMEN1ALDH1A1
SCHEMBL7894393 0.82 SLC6A9 (0.84) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL13827334 0.82 SLC6A9 (0.51) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL7893234 0.82 SLC6A9 (0.68) SLC6A9KMT2AGAAMEN1LMNA
Hydrochloric Acid SCHEMBL3101277 0.81 SLC6A9 (0.82) SLC6A9KMT2AGAAMEN1LMNA

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
US-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed