SCHEMBL8610225

SCHEMBL8610225

COC(=O)c1cc(S(C)(=O)=O)c(-c2ccc(C)cc2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.63
CYP46A1 Q9Y6A2 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
VCAM1 P19320 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8608047 0.89 PTGS2 (0.52) SLC9A1PTGS2ALDH1A1KDM4EMAPT
SCHEMBL8611088 0.88 SLC9A1 (0.52) SLC9A1CYP46A1LMNATDP1PTGS2
SCHEMBL8610220 0.86 SLC9A1 (0.51) SLC9A1CYP46A1LMNAALDH1A1CYP2C9
SCHEMBL8608779 0.86 SLC9A1 (0.51) SLC9A1CYP46A1LMNATDP1PTGS2
SCHEMBL8609124 0.86 SLC9A1 (0.51) SLC9A1CYP46A1LMNAALDH1A1CYP2C9
SCHEMBL5087619 0.86 SLC9A1 (0.48) SLC9A1CYP46A1PTGS2CYP2C9KDM4E
SCHEMBL8610606 0.85 SLC9A1 (0.50) SLC9A1CYP46A1LMNAPTGS2ALDH1A1
SCHEMBL8610266 0.85 SLC9A1 (0.50) SLC9A1CYP46A1LMNATDP1PTGS2
SCHEMBL8608742 0.83 SLC9A1 (0.48) SLC9A1CYP46A1PTGS2ALDH1A1MAPT
SCHEMBL8611097 0.83 SLC9A1 (0.48) SLC9A1CYP46A1LMNATDP1PTGS2

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-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed