SCHEMBL4046527

SCHEMBL4046527

CC(N)c1ccccc1.O=C(O)CS(=O)(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 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
SCHEMBL4224462 0.89 CYP2C19 (0.55) CYP2C19ALDH1A1HPGDKMT2ATSHR
SCHEMBL4557719 0.80 CYP2C19 (0.43) CYP2C19LMNANPSR1TSHRCA12
SCHEMBL4219121 0.77 SLC6A3 (0.49) CYP2C19ALDH1A1
Malonic Acid SCHEMBL28871075 0.77 ADRA2A (0.47) LMNAALDH1A1KDM4EKMT2A
SCHEMBL6264569 0.77 CA12 (0.49) CYP2C19ALDH1A1KMT2ATSHRCA12
Propionic Acid SCHEMBL27818454 0.75 LMNA (0.48) LMNAALDH1A1KDM4EKMT2A
SCHEMBL28480610 0.75 ALDH1A1 (0.52) LMNAALDH1A1KDM4EGMNNPOLB
Succinic Acid SCHEMBL27663697 0.73 SLC15A1 (0.50) CYP2C19LMNAALDH1A1KDM4ETSHR
Sulfuric Acid SCHEMBL4454713 0.73 ALDH1A1 (0.53) LMNAALDH1A1KDM4EGMNNPOLB
Sulfuric Acid SCHEMBL28277238 0.73 ALDH1A1 (0.53) LMNAALDH1A1KDM4EGMNNPOLB

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-2009024863-A2 PROCESS FOR THE PREPARATION OF MODAFINIL ENANTIOMERS ACTAVIS GROUP PTC EHF (IS) 2009-02-26 WO disclosed