SCHEMBL2368664

SCHEMBL2368664

c1csc(-c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.57
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX5 P09917 1/20 0.47
SLC6A9 P48067 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTNNB1 P35222 2/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL3249226 0.89 RPS6KB2 (0.57) RPS6KB2KCNH2ALDH1A1MAPTKDM4E
SCHEMBL153244 0.81 DYRK1A (0.53) RPS6KB2KCNH2MAPTKDM4ESLC6A9
SCHEMBL8190730 0.80 KCNH2 (0.44) RPS6KB2KCNH2MAPTALOX5SLC6A9
SCHEMBL8190732 0.79 KCNH2 (0.42) RPS6KB2KCNH2ALDH1A1ALOX5SLC6A9
SCHEMBL9784218 0.79 CTNNB1 (0.50) RPS6KB2KCNH2MAPTSLC6A9SMN1; SMN2
SCHEMBL27690419 0.77 MAOB (0.51) RPS6KB2KCNH2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5171855 0.76 NPC1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL15677665 0.76 ALOX5 (0.72) ALDH1A1MAPTGAAKDM4EALOX5
SCHEMBL25094100 0.71 HDAC6 (0.52) ALDH1A1MAPTALOX5SMN1; SMN2NPC1
SCHEMBL338810 0.71 LTA4H (0.70) KCNH2ALDH1A1MAPTKDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed