SCHEMBL1047546

SCHEMBL1047546

CC(C)(C)C1CC(c2nc(CSc3nnnn3-c3ccccc3)cs2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.52
TSHR P16473 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 4/20 0.45
POLB P06746 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.41

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
SCHEMBL1269936 0.86 ALDH1A1 (0.58) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL27975293 0.83 ALDH1A1 (0.52) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL12897363 0.82 GPR119 (0.53) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL1045100 0.81 PRNP (0.37) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL1047411 0.79 CPT2 (0.35) MAPTMEN1KMT2A
SCHEMBL17350949 0.78 AOC3 (0.43) MAPT
SCHEMBL2734345 0.77 FAAH (0.42)
SCHEMBL1047470 0.77 GPR119 (0.37)
SCHEMBL1046766 0.77 ALDH1A1 (0.39) ALDH1A1TSHRLMNANPSR1MAPT
SCHEMBL27974955 0.77 ALDH1A1 (0.43) ALDH1A1TSHRLMNASMN1; SMN2TDP1

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-2272846-A1 Thiazolylpiperidine derivatives as fungicide Bayer CropScience AG (DE) 2011-01-12 EP disclosed