SCHEMBL6985974

SCHEMBL6985974

C[C@]1(OC(=O)O)CSC(c2ccc(C(=O)O)cc2O)=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
PTGS2 P35354 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TTR P02766 4/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
MYC P01106 1/20 0.33

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
SCHEMBL4952161 0.87 TYR (0.35) KDM4ECA12CA1CA2GAA
SCHEMBL6987657 0.83 HTR2B (0.42) KDM4EMAPTALDH1A1THRBHPGD
SCHEMBL6314485 0.81 KDM4E (0.40) KDM4ECA12CA1CA2POLB
SCHEMBL6314483 0.81 KDM4E (0.40) KDM4ECA12CA1CA2POLB
SCHEMBL6982545 0.74 ALOX5 (0.33) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL6988447 0.74 ALOX5 (0.33) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL6985040 0.73 KDM4E (0.40) KDM4ECA12CA1CA2MAPT
SCHEMBL6989995 0.70 MEN1 (0.39) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6419881 0.69 HTR2B (0.36) KDM4EGAATTRHTTALDH1A1
SCHEMBL18197335 0.68 MAPT (0.42) KDM4ECA2GAAMAPTL3MBTL1

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