SCHEMBL4784929

SCHEMBL4784929

CC(C)c1cccc2c1c(S(=O)(=O)NCCc1ccccc1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SFRP1 Q8N474 1/20 0.43
PRMT1 Q99873 1/20 0.42
MAPT P10636 2/20 0.42
HTR6 P50406 2/20 0.42
NSD2 O96028 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4780287 0.94 ALDH1A1 (0.48) ALDH1A1SFRP1HTR6KDM4EMAPK1
SCHEMBL4782569 0.93 TDP1 (0.51) ALDH1A1HTR6HTTL3MBTL1LMNA
SCHEMBL4785654 0.91 TBXAS1 (0.46) ALDH1A1HTT
SCHEMBL4782126 0.89 KEAP1 (0.44) ALDH1A1HTR6NSD2HTTL3MBTL1
SCHEMBL4782431 0.86 HTT (0.43) ALDH1A1MAPTHTR6HTTKDM4E
SCHEMBL4784750 0.84 NSD2 (0.46) ALDH1A1SFRP1PRMT1MAPTHTR6
SCHEMBL4785064 0.82 TSHR (0.48) ALDH1A1HTR6L3MBTL1TSHRMAPK1
SCHEMBL4781621 0.82 HTR6 (0.41) HTR6TSHR
SCHEMBL4783889 0.81 BRD4 (0.43) HTR6
SCHEMBL4783163 0.80 IDE (0.53) ALDH1A1LMNAPOLB

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
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed