SCHEMBL7416728

SCHEMBL7416728

COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.76
ALDH1A1 P00352 4/20 0.68
POLB P06746 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.62
SFRP1 Q8N474 1/20 0.61
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61

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
SCHEMBL10453025 0.86 PDE4A (0.66) HTTALDH1A1POLBNPSR1TSHR
SCHEMBL5960056 0.86 HTT (1.00) HTTALDH1A1POLBSMN1; SMN2SFRP1
SCHEMBL7415584 0.86 SMN1; SMN2 (0.78) HTTALDH1A1POLBNPSR1TSHR
SCHEMBL4182162 0.85 KMT2A (0.77) HTTALDH1A1POLBNPSR1TSHR
SCHEMBL10462165 0.84 TBXA2R (0.63) HTTALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL7877042 0.83 PDE4A (0.65) HTTALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL9895995 0.83 HTT (0.75) HTTALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL4617736 0.83 ALDH1A1 (0.72) HTTALDH1A1POLBSMN1; SMN2TP53
SCHEMBL6104071 0.82 HTT (0.81) HTTALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL7877032 0.82 ALDH1A1 (0.60) HTTALDH1A1POLBSMN1; SMN2TP53

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
WO-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed