SCHEMBL4148177

SCHEMBL4148177

O=S(=O)(c1ccccc1Cl)N1C[CH]CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
CHRM4 P08173 2/20 0.51
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 2/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL4001953 0.88 TSHR (0.72) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL4004295 0.85 TSHR (0.52) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL31684034 0.83 TSHR (0.78) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL4555453 0.83 TSHR (0.78) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL28765963 0.82 TSHR (0.49) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL27974780 0.82 CHRM4 (0.54) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL4001721 0.81 KMT2A (0.52) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL10723724 0.81 CHRM4 (0.64) TSHRCYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL4790629 0.77 ALDH1A1 (0.57) TSHRCYP2C9ALDH1A1KDM4EPOLB
SCHEMBL3244492 0.75 CYP3A4 (0.74) TSHRCYP3A4CYP2C9CYP2C19MAPK1

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 3 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-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed