SCHEMBL4784743

SCHEMBL4784743

O=S(=O)(NCCc1ccccn1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL4781064 0.87 HTR6 (0.43) HTR6KDM4EMAPTRAB9AHTT
SCHEMBL4785325 0.86 TDP1 (0.51) HTR6LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14207924 0.86 HTR6 (0.43) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4785772 0.86 HTR6 (0.45) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4784044 0.86 KDM4E (0.44) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4783936 0.85 KDM4E (0.46) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4782361 0.84 TBXAS1 (0.46) SMN1; SMN2
SCHEMBL4782431 0.83 HTT (0.43) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4784058 0.83 HTR6 (0.41) HTR6KDM4EMAPTRAB9ALMNA
SCHEMBL4783079 0.81 AKR1C3 (0.45) MAPTALDH1A1

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