SCHEMBL22652285

SCHEMBL22652285

CC(=O)c1ccc(CS(C)(=O)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GSK3B P49841 1/20 0.46
HPGD P15428 4/20 0.45
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL3353732 0.85 DAO (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL24195865 0.84 ALDH1A1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL3295264 0.81 NPSR1 (0.56) ALDH1A1LMNAHPGDTSHRMAPT
SCHEMBL5351604 0.76 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL1798146 0.76 ALDH1A1 (0.56) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL11631412 0.75 ALDH1A1 (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL11235459 0.75 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL17065257 0.75 GSK3B (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL3199622 0.73 ALDH1A1 (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL4058053 0.73 ALDH1A1 (0.60) ALDH1A1LMNAPRNPRECQLRXFP1

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-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed