SCHEMBL9844333

SCHEMBL9844333

O=S(=O)(Cl)CCc1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.42
DRD2 P14416 4/20 0.42
SLC6A2 P23975 4/20 0.40
GRIN2B Q13224 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRIN1 Q05586 1/20 0.37
MGLL Q99685 1/20 0.37
SLC6A4 P31645 3/20 0.36
CYP2D6 P10635 2/20 0.36
KCNH2 Q12809 2/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
SCN9A Q15858 1/20 0.35
NR1I2 O75469 1/20 0.35
RORC P51449 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL9844000 0.84 SLC6A3 (0.42) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL270517 0.83 HDAC3 (0.43) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL1046197 0.78 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL9844357 0.77 TNF (0.39) SLC6A3SLC6A2MGLLSLC6A4CYP2D6
SCHEMBL9210581 0.77 RORC (0.42) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL9843859 0.75 SLC6A3 (0.43) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL2879865 0.75 IDO1 (0.44) SLC6A3SLC6A2HDAC1SLC6A4CYP2D6
SCHEMBL23881813 0.74 SLC6A3 (0.48) SLC6A3DRD2SLC6A2GRIN2BHDAC3
SCHEMBL1299443 0.74 TAAR1 (0.58) SLC6A3DRD2SLC6A2GRIN2BGRIN1
SCHEMBL1046199 0.74 SLC6A3 (0.47) SLC6A3DRD2SLC6A2GRIN2BHDAC3

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
EP-0447645-A1 Aralkylesulfonyl ureas BAYER AG (DE) 1991-09-25 EP disclosed