SCHEMBL6981245

SCHEMBL6981245

C[C@]1(OC(=O)O)CSC(c2nc3ccccc3cc2O)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6985038 0.83 HTR2B (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6314478 0.82 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6314472 0.82 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6988447 0.76 ALOX5 (0.33) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6982545 0.76 ALOX5 (0.33) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL6989995 0.76 MEN1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4952161 0.73 TYR (0.35) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6986273 0.72 HTR2B (0.34) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6985974 0.71 KDM4E (0.37) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL6987670 0.67 HSPA5 (0.37) KDM4EALDH1A1GAAHPGD

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
EP-1302467-A2 Process for the preparation of substituted thiazoline derivatives and their intermediate DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-04-16 EP disclosed