SCHEMBL8298792

SCHEMBL8298792

CO[N+](=O)c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 1/20 0.54
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PGR P06401 4/20 0.46
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
POLB P06746 1/20 0.45
AR P10275 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1471463 0.88 FFAR1 (0.57) FFAR1FFAR4MAPTNPSR1PGR
SCHEMBL1472149 0.80 FFAR1 (0.61) FFAR1FFAR4MAPTNPSR1PGR
SCHEMBL1471643 0.77 BCL2L1 (0.52) FFAR1FFAR4MAPTNPSR1PGR
SCHEMBL15480553 0.73 BCL2L1 (0.60) MAPTNPSR1PGRPOLBMEN1
SCHEMBL1472283 0.72 BCL2L1 (0.53) FFAR4MAPTNPSR1PGRPOLB
SCHEMBL1472284 0.71 MAPT (0.56) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL31596007 0.70 FFAR1 (0.76) FFAR1FFAR4MAPTPGRCACNA1H
Hydrochloric Acid SCHEMBL5797951 0.70 MAPK1 (0.71) FFAR1FFAR4MAPTPGRMEN1
SCHEMBL1471525 0.69 MEN1 (0.62) FFAR1FFAR4MAPTCACNA1HCACNA1B
SCHEMBL1472212 0.69 FFAR1 (0.64) FFAR1FFAR4MAPTNPSR1PGR

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
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed