SCHEMBL20796255

SCHEMBL20796255

O=C(Cc1ccc(-c2ccc(Cl)cc2Cl)s1)NCCN1CC[S+]([O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 3/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNH2 Q12809 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20796307 0.94 MAPK1 (0.40) SMN1; SMN2GAAKMT2ALMNAALDH1A1
SCHEMBL20796120 0.89 GAA (0.54) SMN1; SMN2GAAKMT2ALMNAKDM4E
SCHEMBL30553870 0.89 GAA (0.54) SMN1; SMN2GAAKMT2ALMNAKDM4E
SCHEMBL20772427 0.88 SMN1; SMN2 (0.55) SMN1; SMN2GAAKMT2ALMNANPSR1
SCHEMBL30553808 0.88 SMN1; SMN2 (0.55) SMN1; SMN2GAAKMT2ALMNANPSR1
SCHEMBL20772369 0.88 CNR1 (0.47) SMN1; SMN2GAAKMT2ALMNANPSR1
Hydrochloric Acid SCHEMBL30553806 0.87 SMN1; SMN2 (0.47) SMN1; SMN2GAAKMT2ALMNANPSR1
Hydrochloric Acid SCHEMBL22320782 0.87 SMN1; SMN2 (0.47) SMN1; SMN2GAAKMT2ALMNANPSR1
SCHEMBL20772802 0.86 SMN1; SMN2 (0.43) SMN1; SMN2GAAKMT2ALMNANPSR1
SCHEMBL30553809 0.86 SMN1; SMN2 (0.43) SMN1; SMN2GAAKMT2ALMNANPSR1

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-2019043642-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2019-03-07 WO disclosed