SCHEMBL5029652

SCHEMBL5029652

CC(C)c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
MLKL Q8NB16 1/20 0.40
CYP1A2 P05177 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
IDO1 P14902 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
CBFB Q13951 1/20 0.37

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
SCHEMBL13375146 0.89 ALDH1A1 (0.61) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL4240625 0.87 ALDH1A1 (0.63) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL3268547 0.85 HSD17B10 (0.54) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL12545719 0.84 HSD17B10 (0.53) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL20178503 0.84 LMNA (0.53) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL13375254 0.83 ALDH1A1 (0.44) HSD17B10KDM4ELMNAALDH1A1ALOX15
Hydrochloric Acid SCHEMBL11374515 0.83 HSD17B10 (0.51) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL15158071 0.81 PRCP (0.48) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL19970799 0.79 MAPK1 (0.41) HSD17B10KDM4ELMNAALDH1A1ALOX15
SCHEMBL4241945 0.78 MAPT (0.51) HSD17B10KDM4ELMNAALDH1A1ALOX15

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 4 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
US-4243806-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-06 US disclosed
US-4179505-A ANTIALLERGENS; ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed