SCHEMBL12469238

SCHEMBL12469238

CCOC(=O)c1sc(N2CCOCC2)cc1CCC(N)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
PIK3CA P42336 1/20 0.39
LMNA P02545 2/20 0.39
FFAR2 O15552 1/20 0.39
PRKDC P78527 1/20 0.39
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
THRB P10828 1/20 0.38
CSNK1D P48730 1/20 0.38
HPGD P15428 3/20 0.38
ALOX5 P09917 1/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12469198 0.83 FFAR2 (0.39) MAPTGAAPIK3CALMNAFFAR2
SCHEMBL11972849 0.82 PDE3B (0.46) MAPTGAAPIK3CALMNAPRKDC
SCHEMBL11997711 0.81 DGAT1 (0.40) MAPTGAAPIK3CALMNAFFAR2
SCHEMBL12469236 0.76 LMNA (0.41) MAPTGAAPIK3CALMNAEGFR
SCHEMBL11973421 0.73 FFAR2 (0.39) MAPTGAALMNAFFAR2DGAT1
SCHEMBL627395 0.72 PIK3CA (0.47) MAPTGAAPIK3CALMNAEGFR
SCHEMBL626844 0.71 PIK3CA (0.44) MAPTGAAPIK3CALMNADGAT1
SCHEMBL11997712 0.70 ADORA1 (0.35) MAPTGAAPIK3CALMNAFFAR2
SCHEMBL16849913 0.66 FFAR2 (0.46) MAPTPIK3CALMNAFFAR2PRKDC
SCHEMBL624286 0.66 MAPT (0.48) MAPTGAAPIK3CALMNAALDH1A1

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-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed