SCHEMBL16229792

SCHEMBL16229792

CN1C2C1C21Cc2cc(F)c(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 2/20 0.34
SLC8A1 P32418 1/20 0.33
SLC6A9 P48067 1/20 0.33
NAMPT P43490 2/20 0.32
ALK Q9UM73 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PDPK1 O15530 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRM1 P11229 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FSCN1 Q16658 1/20 0.30

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
SCHEMBL16784652 0.93 SLC8A1 (0.37) POLBKMT2AMETSLC8A1SLC6A9
SCHEMBL16229806 0.92 DGAT1 (0.35) POLBKMT2AMETSLC6A9ALK
SCHEMBL16229766 0.92 TP53 (0.35) METSLC8A1SLC6A9NAMPTALK
SCHEMBL16229772 0.91 AXL (0.37) SLC8A1SLC6A9NAMPTALKSMN1; SMN2
SCHEMBL16784654 0.89 POLB (0.40) POLBKMT2AMETSLC8A1SLC6A9
SCHEMBL16229753 0.86 SLC6A9 (0.41) POLBMETSLC8A1SLC6A9ALK
SCHEMBL16229760 0.85 KMT2A (0.45) KMT2ASLC8A1SLC6A9ALDH1A1
SCHEMBL16229798 0.85 HTR6 (0.36) SLC8A1SLC6A9PKMKDM4EHTR1A
SCHEMBL16229761 0.85 SLC6A9 (0.37) KMT2ASLC6A9CHRM1ALDH1A1
SCHEMBL16229789 0.84 DGAT1 (0.40) POLBKMT2ASLC6A9ALDH1A1

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