SCHEMBL6409546

SCHEMBL6409546

O=S(=O)(Nc1ccc(F)cc1)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
PGR P06401 1/20 0.67
RORA P35398 1/20 0.64
RORC P51449 1/20 0.64
NR1H2 P55055 1/20 0.64
NR1H4 Q96RI1 1/20 0.64
HDAC1 Q13547 3/20 0.58
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
PFKFB3 Q16875 1/20 0.56
HCRTR1 O43613 1/20 0.54
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN5 P54829 1/20 0.53
ACLY P53396 1/20 0.52
TYMS P04818 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
BRD4 O60885 2/20 0.48

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
SCHEMBL31110643 0.86 TSHR (0.74) TSHRPGRRORARORCNR1H2
SCHEMBL812673 0.86 TSHR (0.74) TSHRPGRRORARORCNR1H2
SCHEMBL9478942 0.84 TSHR (0.71) TSHRPGRRORARORCNR1H2
SCHEMBL3261087 0.84 TSHR (0.71) TSHRPGRRORARORCNR1H2
SCHEMBL16785737 0.84 TSHR (0.67) TSHRPGRRORARORCNR1H2
SCHEMBL5046687 0.82 TSHR (0.64) TSHRPGRRORARORCNR1H2
SCHEMBL3622402 0.81 FABP4 (0.58) ALDH1A1HTTMEN1KMT2ABRD4
SCHEMBL15762086 0.80 TSHR (1.00) TSHRPGRRORARORCNR1H2
SCHEMBL12793716 0.80 ALDH1A1 (0.65) TSHRPGRRORARORCNR1H2
SCHEMBL8752480 0.80 PGR (0.74) TSHRPGRRORARORCNR1H2

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
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed