SCHEMBL16784654

SCHEMBL16784654

CN1C2C1C21Cc2ccc(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 2/20 0.36
NAMPT P43490 2/20 0.36
CYP19A1 P11511 2/20 0.36
SLC8A1 P32418 1/20 0.34
NTRK1 P04629 1/20 0.33
GUSB P08236 1/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
MET P08581 1/20 0.33
ALK Q9UM73 1/20 0.33
GNRHR P30968 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
PLK1 P53350 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL16229789 0.92 DGAT1 (0.40) POLBKMT2ASLC6A9
SCHEMBL16784645 0.91 SLC6A9 (0.41) KMT2ASLC6A9SLC8A1METHTR1A
SCHEMBL16784627 0.90 TP53 (0.41) KMT2ASLC6A9NAMPTCYP19A1SLC8A1
SCHEMBL16784636 0.90 GALR3 (0.41) SLC6A9NAMPTCYP19A1GUSBALK
SCHEMBL16229792 0.89 POLB (0.35) POLBKMT2ASLC6A9NAMPTCYP19A1
SCHEMBL16784653 0.86 SLC6A9 (0.51) SLC6A9SLC8A1ALKHTR1AHTR7
SCHEMBL16229801 0.85 SLC6A9 (0.51) POLBKMT2ASLC6A9
SCHEMBL16229806 0.84 DGAT1 (0.35) POLBKMT2ASLC6A9METALK
SCHEMBL16229753 0.83 SLC6A9 (0.41) POLBSLC6A9SLC8A1METALK
SCHEMBL16229746 0.83 HTT (0.40) POLBSLC6A9CYP19A1SLC8A1

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-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