SCHEMBL3530480

SCHEMBL3530480

CCCC(N)CCOc1ccc2c(cnn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 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
SCHEMBL3535203 0.83 FGFR1 (0.44) HTR6POLBL3MBTL1ALDH1A1TP53
SCHEMBL3534362 0.83 OPRD1 (0.39) HTR6POLBL3MBTL1PDE3BPDE3A
SCHEMBL3534708 0.81 HTR6 (0.45) HTR6HTTCYP1A2CYP2C9CYP2C19
SCHEMBL3533707 0.81 HTR6 (0.40) HTR6POLBL3MBTL1ALDH1A1TP53
SCHEMBL3532185 0.80 HTR6 (0.45) HTR6POLBL3MBTL1ALDH1A1PDE3B
SCHEMBL3536803 0.80 KDM4E (0.50) HTR6POLBL3MBTL1ALDH1A1FGFR1
SCHEMBL3536219 0.80 ALDH1A1 (0.42) HTR6ALDH1A1TP53TSHRMAPK1
SCHEMBL3531385 0.80 CHRNB2 (0.42) HTR6POLBL3MBTL1ALDH1A1TP53
SCHEMBL3533173 0.80 OPRD1 (0.39) HTR6POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3535760 0.78 HDAC3 (0.39) HTR6POLBL3MBTL1PDE3BPDE3A

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed