SCHEMBL13827792

SCHEMBL13827792

Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccc(F)cc2)NCCC3)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.57
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13827329 0.92 SLC6A9 (0.67) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL17675751 0.92 SLC6A9 (0.56) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL13827337 0.92 SLC6A9 (0.57) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL13827334 0.83 SLC6A9 (0.51) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL13738539 0.81 SLC6A9 (0.64) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL13827790 0.81 SLC6A9 (0.42) SLC6A9KMT2AGAAMEN1ALDH1A1
SCHEMBL7896728 0.80 SLC6A9 (0.70) SLC6A9KMT2ALMNAGAAMEN1
Hydrochloric Acid SCHEMBL3093002 0.80 SLC6A9 (0.69) SLC6A9KMT2ALMNAGAAMEN1
SCHEMBL13827501 0.79 SLC6A9 (0.70) SLC6A9KMT2AKCNH2
SCHEMBL13827231 0.79 SLC6A9 (0.59) SLC6A9KMT2ALMNAGAAMEN1

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-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
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
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 WO disclosed