SCHEMBL5031668

SCHEMBL5031668

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP2A6 P11509 2/20 0.41
KIF11 P52732 2/20 0.39
TYR P14679 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MLKL Q8NB16 1/20 0.37
CYP1A2 P05177 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GSK3B P49841 1/20 0.35
ALOX15 P16050 1/20 0.35
IDO1 P14902 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4246459 0.87 KDM4E (0.53) HSD17B10KDM4ELMNACYP2A6KIF11
SCHEMBL23676474 0.85 HSD17B10 (0.54) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL23676475 0.81 HSD17B10 (0.50) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL6985209 0.80 KDM4E (0.42) HSD17B10KDM4ELMNAKIF11TYR
SCHEMBL4241831 0.79 BRD4 (0.35) HSD17B10KDM4ELMNACYP2A6KIF11
SCHEMBL889055 0.78 CYP2A6 (0.44) HSD17B10KDM4ECYP2A6KIF11BRD4
SCHEMBL4246422 0.77 MAPT (0.50) KDM4ELMNACYP2A6KIF11BRD4
SCHEMBL2757079 0.76 KDM4E (0.59) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL12032930 0.76 HSD17B10 (0.64) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL889358 0.76 HSD17B10 (0.59) HSD17B10KDM4ELMNAKIF11ALDH1A1

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