SCHEMBL4754864

SCHEMBL4754864

CCOC(=O)c1[nH]c(SC)nc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.42
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7889798 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL2616850 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL7878648 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL1899259 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDHTTCYP2C9
SCHEMBL6469855 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL6530759 0.77 ALDH1A1 (0.51) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL3027865 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL4004075 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL3373723 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL2132706 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHTTRECQL

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
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed