SCHEMBL6989995

SCHEMBL6989995

C[C@]1(OC(=O)O)CSC(c2c(O)ccc3ccccc23)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NSD2 O96028 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
G6PD P11413 1/20 0.34
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 3/20 0.34
SALL4 Q9UJQ4 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL6314632 0.82 KMT2A (0.38) MEN1KMT2AMAPTNSD2OPRM1
SCHEMBL6985038 0.80 HTR2B (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6987657 0.78 HTR2B (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6988447 0.77 ALOX5 (0.33) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6981245 0.76 KDM4E (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6986273 0.73 HTR2B (0.34) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4952161 0.72 TYR (0.35) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6985040 0.68 KDM4E (0.40) MEN1KMT2AMAPTKDM4EALDH1A1
Acetic Acid SCHEMBL28608130 0.67 MAPT (0.56) MEN1KMT2AMAPTNSD2OPRM1
SCHEMBL10963143 0.66 KDM4E (0.35) MEN1KMT2AMAPTKDM4EALDH1A1

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