SCHEMBL6986273

SCHEMBL6986273

C[C@]1(OC(=O)O)CSC(c2cccc(O)c2O)=N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
FTO Q9C0B1 1/20 0.32
MAOA P21397 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
AKT1 P31749 1/20 0.30

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
SCHEMBL6987657 0.90 HTR2B (0.42) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL6985040 0.86 KDM4E (0.40) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6985038 0.81 HTR2B (0.36) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL4952161 0.81 TYR (0.35) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6321996 0.80 HTR2B (0.35) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL3300121 0.80 HTR2B (0.35) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL6985974 0.79 KDM4E (0.37) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL6982545 0.78 ALOX5 (0.33) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6988447 0.78 ALOX5 (0.33) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3304049 0.74 CA12 (0.38) ALDH1A1HPGDKDM4EMAOALMNA

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