SCHEMBL5129452

SCHEMBL5129452

CC(C)(C)C(NC(=O)O)c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PRCP P42785 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PDE2A O00408 1/20 0.36
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
F9 P00740 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL15158071 0.84 PRCP (0.48) KMT2APRCPHSD17B10ALDH1A1ALOX15
SCHEMBL5126955 0.81 KMT2A (0.39) KMT2APRCPCYP3A4CYP2C9CYP2C19
SCHEMBL7478091 0.80 HSD17B10 (0.46) KMT2AHSD17B10F9
SCHEMBL2038892 0.80 KMT2A (0.58) KMT2ACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL2040504 0.78 PDE2A (0.48) KMT2APDE2A
SCHEMBL7921079 0.76 AAK1 (0.47) PRCP
SCHEMBL16516059 0.76 AAK1 (0.48) CYP1A2ALDH1A1SCN10A
SCHEMBL1390562 0.75 ALDH1A1 (0.37) KMT2APRCPHSD17B10S1PR4S1PR1
SCHEMBL5029652 0.75 HSD17B10 (0.53) KMT2AHSD17B10CYP1A2S1PR4S1PR1
SCHEMBL7132733 0.74 MMP1 (0.35)

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-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed