SCHEMBL6988447

SCHEMBL6988447

C[C@]1(OC(=O)O)CSC(c2ccccc2)=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NTRK1 P04629 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIN1 Q13526 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL6982545 1.00 ALOX5 (0.33) ALOX5SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6987657 0.83 HTR2B (0.42) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL6985038 0.80 HTR2B (0.36) ALDH1A1MEN1KMT2AGAATDP1
SCHEMBL6986273 0.78 HTR2B (0.34) ALDH1A1TDP1KDM4EMAPTHPGD
SCHEMBL6989995 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL5914861 0.76 THRB (0.34) ALOX5ALDH1A1TDP1MAPTNTRK1
SCHEMBL3958398 0.76 THRB (0.34) ALOX5ALDH1A1TDP1MAPTNTRK1
SCHEMBL6315318 0.76 THRB (0.34) ALOX5ALDH1A1TDP1MAPTNTRK1
SCHEMBL4952161 0.76 TYR (0.35) ALOX5ALDH1A1MEN1KMT2AGAA
SCHEMBL6981245 0.76 KDM4E (0.38) ALDH1A1MEN1KMT2AGAATDP1

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