SCHEMBL788995

SCHEMBL788995

NC(=S)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.81
NPC1 O15118 11/20 0.68
RAB9A P51151 10/20 0.68
MAPT P10636 7/20 0.68
GAA P10253 5/20 0.68
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
ALOX12 P18054 1/20 0.57
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL24477522 0.95 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL788729 0.89 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL6677954 0.86 CYP1A2 (0.70) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL4524922 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL1184757 0.82 CYP1A2 (0.60) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL29242622 0.82 CYP1A2 (0.70) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL14451161 0.81 MAPT (0.72) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL8188470 0.81 NPC1 (0.66) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL11285291 0.79 RAB9A (0.73) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL357806 0.79 CYP1A2 (0.61) SMN1; SMN2NPC1RAB9AMAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed