SCHEMBL7715090

SCHEMBL7715090

CC(C)(C)OC(=O)Nc1c([Si](C)(C)C)ccc2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
ATR Q13535 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
SYK P43405 1/20 0.38
MIF P14174 1/20 0.37
TRPV1 Q8NER1 6/20 0.37
LCK P06239 3/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSK3B P49841 1/20 0.35

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
SCHEMBL7717601 0.82 ALDH1A1 (0.37) NQO2MEN1RAB9AKMT2ANPC1
SCHEMBL7717631 0.81 GAA (0.36) NQO2MEN1RAB9AKMT2ANPC1
SCHEMBL7717581 0.81 NQO2 (0.40) NQO2MEN1RAB9AKMT2ANPC1
SCHEMBL7717690 0.81 NQO2 (0.51) NQO2MEN1RAB9AKMT2ANPC1
SCHEMBL487254 0.76 TRPV1 (0.64) NQO2MEN1RAB9AKMT2ATRPV1
SCHEMBL31680675 0.76 TRPV1 (0.64) NQO2MEN1RAB9AKMT2ATRPV1
SCHEMBL24150453 0.72 NQO2 (0.42) NQO2MEN1RAB9AKMT2ANPC1
SCHEMBL23158879 0.72 KAT6A (0.50) NQO2GAACA12CA1CA9
SCHEMBL27351496 0.71 LCK (0.52) MEN1RAB9AKMT2ANPC1GAA
SCHEMBL14037475 0.71 KAT6A (0.49) NQO2GAACA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed