SCHEMBL16229801

SCHEMBL16229801

CN1C2C1C21Cc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.51
KMT2A Q03164 5/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 1/20 0.38
AKT1 P31749 1/20 0.36
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
SCHEMBL16229804 0.92 KMT2A (0.47) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229751 0.91 SLC6A9 (0.60) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229796 0.91 SLC6A9 (0.51) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229786 0.90 SLC6A9 (0.51) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229760 0.89 KMT2A (0.45) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229749 0.87 SLC6A9 (0.55) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16784654 0.85 POLB (0.40) SLC6A9KMT2APOLB
SCHEMBL16229788 0.85 KMT2A (0.41) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229773 0.83 SLC6A9 (0.45) SLC6A9KMT2AGAAMEN1LMNA
SCHEMBL16229779 0.83 KMT2A (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051280-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 US disclosed
US-8883839-B2 Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-11 US disclosed