SCHEMBL4743923

SCHEMBL4743923

Cc1ccc(S(=O)(=O)O)c(CCc2ccc3c(S(=O)(=O)c4ccccc4)c[nH]c3c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.37
HTR2A P28223 8/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MET P08581 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4743917 0.92 SLC6A2 (0.37) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL4740844 0.79 SLC6A2 (0.60) SLC6A2HTR2APKM
SCHEMBL3567564 0.78 SLC6A2 (0.44) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL14469423 0.78 SLC6A2 (0.48) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL3572358 0.76 SLC6A2 (0.56) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL3569687 0.75 SLC6A2 (0.60) SLC6A2HTR2AHDAC3HDAC4HDAC1
SCHEMBL3579618 0.75 HTR2A (0.59) SLC6A2HTR2AHTR1AHTR1B
Hydrochloric Acid SCHEMBL3574473 0.75 SLC6A2 (0.55) SLC6A2HTR2AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3579549 0.74 HTR2A (0.58) SLC6A2HTR2AHTR1AHTR1B
SCHEMBL3567511 0.73 HTR2A (0.60) SLC6A2HTR2AHDAC3HDAC4HDAC1

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-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO disclosed