SCHEMBL7995074

SCHEMBL7995074

Bc1cnc(C(=O)OC)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LCK P06239 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 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
SCHEMBL68869 0.87 MAPK1 (0.63) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL5700876 0.79 KDM4E (0.61) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL990711 0.79 MAPK1 (0.55) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL428719 0.78 MAPK1 (0.53) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL1858691 0.78 POLB (0.59) MAPK1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL13524601 0.76 SIRT6 (0.67) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL64740 0.76 SIRT6 (0.57) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL22119742 0.76 MAPK1 (0.52) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL544241 0.76 MAPK1 (0.52) MAPK1KDM4EL3MBTL1LCKPCSK9
SCHEMBL31444432 0.76 MAPK1 (0.52) MAPK1KDM4EL3MBTL1LCKPCSK9

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-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed