SCHEMBL2047231

SCHEMBL2047231

CC(O)C(O)Cc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
SLC6A3 Q01959 3/20 0.36
ACACB O00763 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
XBP1 P17861 1/20 0.33
PKM P14618 1/20 0.33
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
FBP1 P09467 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
SCHEMBL2035542 0.84
SCHEMBL104654 0.79
SCHEMBL2039866 0.77 FDPS (0.51) FDPSSLC6A3ACACBALDH1A1TSHR
SCHEMBL2091929 0.77 FDPS (0.51) FDPSSLC6A3ACACBALDH1A1TSHR
SCHEMBL3407472 0.76
SCHEMBL5544952 0.76
SCHEMBL20738620 0.76
SCHEMBL28858696 0.76
SCHEMBL18875017 0.76
SCHEMBL31540838 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed