SCHEMBL9054416

SCHEMBL9054416

CN(C)c1cccc2c1CC=CC2=S(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TYR P14679 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CA2 P00918 1/20 0.31
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL3359213 0.76 MAPT (0.35) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL6035252 0.67 MAOA (0.34) CA2KMT2A
SCHEMBL6837520 0.66 MAPT (0.44) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL4755291 0.65 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL4812007 0.62 ALDH1A1 (0.46) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL30524295 0.61 GFER (0.50) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL27475061 0.60 MAPT (0.33) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL20459458 0.59
SCHEMBL30341585 0.59 PNMT (0.49) MAPTNSD2ALDH1A1EGFRLMNA
SCHEMBL1509311 0.59 PNMT (0.49) MAPTNSD2ALDH1A1EGFRLMNA

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-1996006102-A1 PROCESS FOR THE PREPARATION OF OLIGOSACCHARIDE MIXTURES CIBA-GEIGY AG (CH) 1996-02-29 WO disclosed