SCHEMBL4004295

SCHEMBL4004295

Cc1c(Cl)cccc1S(=O)(=O)N1C[CH]CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
HSD11B1 P28845 5/20 0.51
MAPK1 P28482 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
MYLK Q15746 1/20 0.44
PGR P06401 1/20 0.44
GMNN O75496 1/20 0.43
PMP22 Q01453 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1299167 0.87 TSHR (0.68) TSHRHSD11B1MAPK1MAPTKMT2A
SCHEMBL4001953 0.86 TSHR (0.72) TSHRMAPK1MAPTKMT2ALMNA
SCHEMBL4148177 0.85 TSHR (0.54) TSHRMAPK1MAPTKMT2ALMNA
SCHEMBL28765963 0.80 TSHR (0.49) TSHRMAPK1MAPTKMT2ALMNA
SCHEMBL4009764 0.75 HSD11B1 (0.62) TSHRHSD11B1MAPK1MAPTKMT2A
SCHEMBL4009768 0.75 HSD11B1 (0.62) TSHRHSD11B1MAPK1MAPTKMT2A
Hydrochloric Acid SCHEMBL3999537 0.74 HSD11B1 (0.61) TSHRHSD11B1MAPK1MAPTKMT2A
Hydrochloric Acid SCHEMBL3999535 0.74 HSD11B1 (0.61) TSHRHSD11B1MAPK1MAPTKMT2A
SCHEMBL4001721 0.74 KMT2A (0.52) TSHRKMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL2954368 0.73 MEN1 (0.56) MAPTKMT2ASMN1; SMN2MEN1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1758882-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-23 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
EP-1758882-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
WO-2006012173-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed